#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5j s SER 2 N 0.00 -0.35 0.09 1.61 1.04 -1.26 -5.18 113.70 109.66 1x5j s SER 2 Ca 0.00 0.45 -0.00 0.00 0.48 0.00 0.00 55.95 56.88 1x5j s SER 2 Cb 0.00 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 1x5j s SER 2 CO 0.00 -0.36 -0.01 -0.55 0.98 0.00 0.00 173.24 173.30 1x5j s SER 3 N -0.75 0.67 0.00 7.02 0.15 -1.26 -5.17 113.70 114.36 1x5j s SER 3 Ca -0.08 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.49 1x5j s SER 3 Cb -0.04 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1x5j s SER 3 CO 0.04 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.49 1x5j n GLY 4 N -0.01 -0.36 3.40 9.45 0.00 -1.26 -5.06 105.19 111.34 1x5j n GLY 4 Ca -0.11 -1.02 -0.44 0.00 0.00 0.00 0.00 46.02 44.45 1x5j n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5j s SER 5 N 0.00 7.21 -0.19 1.61 1.04 -1.26 -4.93 113.70 117.18 1x5j s SER 5 Ca 0.00 -3.32 -0.34 0.00 0.48 0.00 0.00 55.95 52.77 1x5j s SER 5 Cb 0.00 -2.31 0.14 0.00 0.10 0.00 0.00 66.02 63.96 1x5j s SER 5 CO 0.00 -0.51 1.20 -0.55 0.98 0.00 0.00 173.24 174.36 1x5j s SER 6 N 2.05 -0.15 0.00 7.02 0.15 -1.26 -5.12 113.70 116.40 1x5j s SER 6 Ca 0.37 0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1x5j s SER 6 Cb -0.06 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1x5j s SER 6 CO -0.04 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1x5j n GLY 7 N 0.05 -1.77 0.75 9.45 0.00 -1.26 -5.18 105.19 107.23 1x5j n GLY 7 Ca -0.01 0.67 -0.06 0.00 0.00 0.00 0.00 46.02 46.61 1x5j n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5j n PRO 8 N 0.00 -1.49 -1.50 1.61 -0.04 -1.26 -4.89 135.00 127.43 1x5j n PRO 8 Ca 0.00 -0.38 -0.52 0.00 -0.04 0.00 0.00 63.50 62.56 1x5j n PRO 8 Cb 0.00 -0.35 -0.05 0.00 -0.04 0.00 0.00 33.50 33.06 1x5j n PRO 8 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1x5j n MET 9 N -2.23 0.45 -3.05 0.54 2.81 -1.25 -4.91 117.12 109.49 1x5j n MET 9 Ca 0.03 0.16 -0.38 0.00 -1.81 0.00 0.00 57.70 55.70 1x5j n MET 9 Cb 0.13 -1.52 -0.06 0.00 -0.71 0.00 0.00 33.22 31.06 1x5j n MET 9 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x5j s MET 10 N -0.43 4.42 1.01 0.03 0.23 -1.26 -3.91 119.30 119.39 1x5j s MET 10 Ca 0.76 1.02 -0.13 0.00 -1.03 0.00 0.00 55.69 56.32 1x5j s MET 10 Cb -1.01 -3.10 0.20 0.00 -1.53 0.00 0.00 34.83 29.38 1x5j s MET 10 CO 0.55 0.50 1.09 -1.25 -2.03 0.00 0.00 175.02 173.88 1x5j s PRO 11 N -1.48 0.30 1.19 3.16 0.04 -1.26 -4.85 135.00 132.09 1x5j s PRO 11 Ca 0.38 0.48 -0.19 0.00 0.04 0.00 0.00 61.00 61.71 1x5j s PRO 11 Cb -0.20 -1.72 0.28 0.00 0.04 0.00 0.00 34.50 32.90 1x5j s PRO 11 CO 0.23 -2.81 1.11 -1.25 0.04 0.00 0.00 177.00 174.32 1x5j s PRO 12 N -4.97 -1.15 0.29 0.56 0.04 -1.26 -4.83 135.00 123.69 1x5j s PRO 12 Ca 0.66 -0.04 0.07 0.00 0.04 0.00 0.00 61.00 61.72 1x5j s PRO 12 Cb -0.19 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 1x5j s PRO 12 CO 0.58 -3.67 0.25 1.33 0.04 0.00 0.00 177.00 175.53 1x5j n VAL 13 N -4.74 0.00 -2.69 -0.36 0.24 0.94 -4.78 118.33 106.94 1x5j n VAL 13 Ca 0.13 -2.15 -0.20 0.00 -2.04 0.00 0.00 64.34 60.08 1x5j n VAL 13 Cb 0.59 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 1x5j n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x5j n GLY 14 N -0.56 -0.51 3.61 7.63 0.00 -1.26 -0.33 105.19 113.77 1x5j n GLY 14 Ca 0.07 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1x5j n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5j s VAL 15 N -2.97 3.69 0.09 1.61 1.01 -1.26 -4.36 120.40 118.22 1x5j s VAL 15 Ca 0.13 0.74 0.03 0.00 0.00 0.00 0.00 61.98 62.88 1x5j s VAL 15 Cb -0.06 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1x5j s VAL 15 CO 0.16 -0.45 -0.08 -1.58 0.00 0.00 0.00 175.10 173.15 1x5j s GLN 16 N 5.04 0.81 -0.15 2.72 0.74 -1.12 -4.84 119.66 122.86 1x5j s GLN 16 Ca 0.71 -1.19 0.02 0.00 0.05 0.00 0.00 55.36 54.95 1x5j s GLN 16 Cb -0.21 -0.37 0.01 0.00 1.10 0.00 0.00 33.01 33.53 1x5j s GLN 16 CO 0.31 0.04 -0.20 0.00 -0.55 0.00 0.00 175.29 174.89 1x5j s ALA 17 N -2.83 2.33 -0.57 1.58 0.00 -1.26 -3.20 121.76 117.82 1x5j s ALA 17 Ca 0.07 -1.08 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 1x5j s ALA 17 Cb -0.00 -1.07 0.15 0.00 0.00 0.00 0.00 23.12 22.19 1x5j s ALA 17 CO -0.02 -0.04 0.44 0.45 0.00 0.00 0.00 175.76 176.60 1x5j s SER 18 N 0.82 5.80 0.04 0.00 0.15 -0.10 -4.93 113.70 115.48 1x5j s SER 18 Ca -0.06 -2.24 -0.30 0.00 0.70 0.00 0.00 55.95 54.04 1x5j s SER 18 Cb -0.15 -2.02 -0.08 0.00 -1.71 0.00 0.00 66.02 62.06 1x5j s SER 18 CO -0.01 -0.61 1.86 -0.63 1.20 0.00 0.00 173.24 175.05 1x5j s ILE 19 N 0.86 3.05 -0.11 6.45 -1.09 -1.26 -1.95 121.20 127.14 1x5j s ILE 19 Ca 0.10 0.19 0.04 0.00 -2.23 0.00 0.00 60.65 58.75 1x5j s ILE 19 Cb -0.22 -3.12 -0.09 0.00 -1.58 0.00 0.00 42.46 37.44 1x5j s ILE 19 CO -0.03 -0.01 -0.06 0.18 -1.23 0.00 0.00 174.94 173.79 1x5j n LEU 20 N 7.03 1.99 0.00 2.97 4.77 -0.53 -4.99 117.00 128.24 1x5j n LEU 20 Ca 0.19 -0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 56.07 1x5j n LEU 20 Cb 0.41 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1x5j n LEU 20 CO 0.66 0.55 0.33 -1.20 -1.33 0.00 0.00 177.39 176.40 1x5j n SER 21 N -2.69 -1.45 -0.17 -1.43 7.64 -0.77 -4.94 113.62 109.81 1x5j n SER 21 Ca -0.20 -2.02 0.01 0.00 1.01 0.00 0.00 58.87 57.67 1x5j n SER 21 Cb 0.76 2.41 0.27 0.00 -1.01 0.00 0.00 64.21 66.64 1x5j n SER 21 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1x5j h HIS 22 N 1.63 0.86 -0.37 1.43 2.07 -1.89 -2.95 115.15 115.92 1x5j h HIS 22 Ca -0.21 0.01 -0.28 0.00 -2.85 0.00 0.00 60.37 57.03 1x5j h HIS 22 Cb 0.78 -0.29 -0.27 0.00 2.57 0.00 0.00 27.41 30.21 1x5j h HIS 22 CO 0.00 0.57 -0.76 -0.40 -3.07 0.00 0.00 177.93 174.27 1x5j n ASP 23 N -4.41 3.03 -3.68 3.10 5.75 -1.26 -4.18 116.55 114.90 1x5j n ASP 23 Ca 0.07 -3.45 -0.18 0.00 -0.01 0.00 0.00 54.79 51.22 1x5j n ASP 23 Cb 0.06 -0.42 -0.16 0.00 -1.03 0.00 0.00 41.12 39.57 1x5j n ASP 23 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1x5j s THR 24 N -3.59 -0.18 -0.08 2.12 2.01 -1.11 -2.87 115.64 111.93 1x5j s THR 24 Ca 0.42 0.37 -0.06 0.00 0.31 0.00 0.00 61.69 62.73 1x5j s THR 24 Cb 0.38 -0.23 0.03 0.00 0.01 0.00 0.00 72.50 72.69 1x5j s THR 24 CO -0.03 0.15 0.21 -0.63 -0.69 0.00 0.00 174.62 173.64 1x5j s ILE 25 N 2.12 -0.02 -0.22 1.82 1.01 -0.90 -1.45 121.20 123.57 1x5j s ILE 25 Ca 0.02 0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.64 1x5j s ILE 25 Cb -0.12 -0.31 -0.05 0.00 0.01 0.00 0.00 42.46 41.99 1x5j s ILE 25 CO -0.05 0.03 0.13 -0.60 0.00 0.00 0.00 174.94 174.45 1x5j s ARG 26 N 0.57 4.07 -0.40 2.79 3.52 -0.82 -1.70 118.95 126.98 1x5j s ARG 26 Ca -0.04 -0.28 0.01 0.00 -0.13 0.00 0.00 55.73 55.30 1x5j s ARG 26 Cb -0.05 -3.43 0.11 0.00 -1.56 0.00 0.00 34.95 30.01 1x5j s ARG 26 CO -0.03 0.16 0.15 0.42 -0.81 0.00 0.00 175.30 175.19 1x5j s ILE 27 N 0.74 2.79 -0.06 4.11 -1.09 0.86 -0.92 121.20 127.62 1x5j s ILE 27 Ca 0.07 -2.35 -0.01 0.00 -2.23 0.00 0.00 60.65 56.13 1x5j s ILE 27 Cb -0.13 -2.97 -0.03 0.00 -1.58 0.00 0.00 42.46 37.76 1x5j s ILE 27 CO 0.02 -0.67 -0.00 0.42 -1.23 0.00 0.00 174.94 173.48 1x5j s THR 28 N 0.84 4.24 0.27 2.92 -4.23 -1.19 -0.55 115.64 117.93 1x5j s THR 28 Ca 0.11 -0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 60.24 1x5j s THR 28 Cb -0.21 -2.80 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 1x5j s THR 28 CO -0.06 0.55 0.34 -1.66 -0.54 0.00 0.00 174.62 173.26 1x5j s TRP 29 N -0.93 0.98 0.00 3.99 -2.14 -0.91 -2.81 118.94 117.13 1x5j s TRP 29 Ca 0.15 -1.21 0.05 0.00 2.66 0.00 0.00 56.10 57.75 1x5j s TRP 29 Cb -0.11 -0.24 -0.02 0.00 -3.10 0.00 0.00 33.47 30.01 1x5j s TRP 29 CO 0.04 -0.91 -0.17 0.00 -2.66 0.00 0.00 176.95 173.26 1x5j s ALA 30 N -3.72 1.41 -0.75 2.67 0.00 0.55 -4.69 121.76 117.22 1x5j s ALA 30 Ca 0.32 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.47 1x5j s ALA 30 Cb 0.02 -0.33 0.19 0.00 0.00 0.00 0.00 23.12 23.00 1x5j s ALA 30 CO 0.15 0.33 0.61 0.34 0.00 0.00 0.00 175.76 177.19 1x5j s ASP 31 N -0.61 5.66 0.48 0.00 2.15 -1.26 -0.04 116.67 123.05 1x5j s ASP 31 Ca 0.06 -3.21 0.29 0.00 0.43 0.00 0.00 52.55 50.12 1x5j s ASP 31 Cb -0.07 -1.90 1.37 0.00 -0.30 0.00 0.00 42.92 42.02 1x5j s ASP 31 CO -0.00 -0.31 1.76 -0.55 -0.17 0.00 0.00 175.17 175.91 1x5j h ASN 32 N 6.65 0.20 -0.78 -0.34 7.08 -1.94 0.02 115.58 126.47 1x5j h ASN 32 Ca 0.07 0.05 0.18 0.00 -3.08 0.00 0.00 56.30 53.51 1x5j h ASN 32 Cb 0.90 0.02 -0.14 0.00 -2.08 0.00 0.00 38.32 37.02 1x5j h ASN 32 CO 0.77 0.01 -0.02 -1.28 -2.08 0.00 0.00 177.43 174.84 1x5j h SER 33 N 0.16 -0.40 -1.70 6.14 0.87 -1.91 -3.42 113.55 113.29 1x5j h SER 33 Ca 0.62 0.21 -0.49 0.00 -1.23 0.00 0.00 61.79 60.89 1x5j h SER 33 Cb 2.07 0.37 0.17 0.00 -0.44 0.00 0.00 62.40 64.57 1x5j h SER 33 CO -0.17 -0.20 -1.20 0.18 -0.53 0.00 0.00 176.83 174.91 1x5j n LEU 34 N -5.37 -3.86 0.00 2.23 4.77 -0.01 -4.94 117.00 109.81 1x5j n LEU 34 Ca 0.14 0.41 -0.15 0.00 -0.03 0.00 0.00 56.01 56.37 1x5j n LEU 34 Cb 0.49 -0.69 0.13 0.00 -2.33 0.00 0.00 43.42 41.01 1x5j n LEU 34 CO 0.03 -4.46 0.31 -0.81 -1.33 0.00 0.00 177.39 171.13 1x5j n PRO 35 N 1.59 -2.11 -0.10 3.23 -0.04 -1.26 -4.81 135.00 131.50 1x5j n PRO 35 Ca 0.04 -0.89 0.26 0.00 -0.04 0.00 0.00 63.50 62.86 1x5j n PRO 35 Cb 0.43 -0.84 0.58 0.00 -0.04 0.00 0.00 33.50 33.63 1x5j n PRO 35 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1x5j h LYS 36 N 0.00 0.00 -4.76 0.54 -0.00 -1.95 -3.32 116.57 107.09 1x5j h LYS 36 Ca -0.21 0.00 -0.64 0.00 -0.00 0.00 0.00 60.65 59.80 1x5j h LYS 36 Cb 0.64 0.00 -0.36 0.00 -0.00 0.00 0.00 32.23 32.51 1x5j h LYS 36 CO 0.14 0.00 -0.82 -3.38 -0.00 0.00 0.00 179.45 175.39 1x5j s HIS 37 N -4.52 2.68 -0.70 0.07 -3.43 -1.26 -5.06 115.29 103.06 1x5j s HIS 37 Ca -0.03 -1.75 -0.26 0.00 -0.80 0.00 0.00 55.06 52.22 1x5j s HIS 37 Cb 0.15 -1.77 -0.12 0.00 -1.43 0.00 0.00 32.58 29.42 1x5j s HIS 37 CO 0.51 -0.79 2.40 -0.65 -2.00 0.00 0.00 174.74 174.21 1x5j s GLN 38 N 1.31 1.76 -0.23 -0.38 -1.52 -1.25 -4.85 119.66 114.50 1x5j s GLN 38 Ca -0.01 0.74 -0.04 0.00 -1.95 0.00 0.00 55.36 54.10 1x5j s GLN 38 Cb -0.16 -4.73 0.09 0.00 -0.22 0.00 0.00 33.01 27.99 1x5j s GLN 38 CO -0.09 -4.09 0.18 0.21 -0.25 0.00 0.00 175.29 171.25 1x5j s LYS 39 N 8.67 0.18 -0.24 2.91 2.47 -1.26 -5.08 119.74 127.38 1x5j s LYS 39 Ca 0.93 -0.13 -0.29 0.00 -1.56 0.00 0.00 55.97 54.92 1x5j s LYS 39 Cb -0.14 -1.26 -0.02 0.00 -1.46 0.00 0.00 37.83 34.95 1x5j s LYS 39 CO 0.13 -0.83 1.58 0.42 0.16 0.00 0.00 175.35 176.81 1x5j s ILE 40 N 2.22 3.75 -0.12 5.43 1.01 -1.26 -4.87 121.20 127.36 1x5j s ILE 40 Ca 0.07 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.56 1x5j s ILE 40 Cb -0.16 -3.77 0.12 0.00 0.01 0.00 0.00 42.46 38.66 1x5j s ILE 40 CO -0.22 -0.33 1.53 0.35 0.00 0.00 0.00 174.94 176.27 1x5j n THR 41 N 6.44 1.83 -3.88 2.92 -2.24 -1.26 -4.84 114.28 113.25 1x5j n THR 41 Ca 0.18 -0.66 -0.27 0.00 -2.27 0.00 0.00 64.05 61.03 1x5j n THR 41 Cb 0.46 -1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 67.54 1x5j n THR 41 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1x5j n ASP 42 N 0.49 -0.82 -0.10 3.42 8.00 -1.26 -4.78 116.55 121.49 1x5j n ASP 42 Ca 0.13 -0.93 0.03 0.00 0.71 0.00 0.00 54.79 54.73 1x5j n ASP 42 Cb 0.66 -1.14 0.04 0.00 -0.02 0.00 0.00 41.12 40.67 1x5j n ASP 42 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1x5j n SER 43 N -1.68 1.43 -3.87 -2.24 2.88 -1.26 -5.07 113.62 103.81 1x5j n SER 43 Ca -0.17 -2.17 -0.11 0.00 -1.33 0.00 0.00 58.87 55.09 1x5j n SER 43 Cb 0.46 -0.17 -0.06 0.00 -0.75 0.00 0.00 64.21 63.69 1x5j n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x5j s ARG 44 N -1.26 1.54 -0.03 -1.46 1.70 -1.26 -4.90 118.95 113.28 1x5j s ARG 44 Ca 0.10 -1.47 -0.01 0.00 -0.47 0.00 0.00 55.73 53.88 1x5j s ARG 44 Cb 0.09 0.41 0.03 0.00 -0.57 0.00 0.00 34.95 34.91 1x5j s ARG 44 CO 0.01 -0.61 0.03 1.52 -1.08 0.00 0.00 175.30 175.17 1x5j s TYR 45 N -3.83 0.17 0.26 5.89 1.13 -1.23 -4.83 117.35 114.91 1x5j s TYR 45 Ca 0.29 0.12 -0.07 0.00 -1.41 0.00 0.00 57.07 55.99 1x5j s TYR 45 Cb 0.01 -0.43 -0.06 0.00 -1.10 0.00 0.00 41.96 40.39 1x5j s TYR 45 CO 0.13 -0.16 0.55 0.71 -2.51 0.00 0.00 175.55 174.26 1x5j s TYR 46 N 1.56 3.45 -0.22 -3.49 2.02 -1.23 -3.43 117.35 116.01 1x5j s TYR 46 Ca -0.03 0.76 -0.02 0.00 -0.37 0.00 0.00 57.07 57.42 1x5j s TYR 46 Cb -0.13 -2.19 0.07 0.00 -0.40 0.00 0.00 41.96 39.31 1x5j s TYR 46 CO -0.03 0.22 0.02 0.99 -1.57 0.00 0.00 175.55 175.18 1x5j s THR 47 N -1.94 0.86 -0.26 -0.71 2.01 -0.94 -3.40 115.64 111.25 1x5j s THR 47 Ca 0.46 -0.87 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 1x5j s THR 47 Cb -0.11 -1.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 1x5j s THR 47 CO 0.25 -0.25 0.19 -0.69 -0.69 0.00 0.00 174.62 173.44 1x5j s VAL 48 N 1.69 5.32 0.16 3.82 1.01 -1.00 -3.23 120.40 128.17 1x5j s VAL 48 Ca -0.01 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.24 1x5j s VAL 48 Cb -0.18 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1x5j s VAL 48 CO -0.10 0.29 0.10 0.00 0.00 0.00 0.00 175.10 175.39 1x5j s ARG 49 N 1.46 2.79 0.04 2.72 1.70 -1.20 0.10 118.95 126.56 1x5j s ARG 49 Ca 0.08 -0.91 -0.24 0.00 -0.47 0.00 0.00 55.73 54.19 1x5j s ARG 49 Cb -0.15 -2.59 0.06 0.00 -0.57 0.00 0.00 34.95 31.70 1x5j s ARG 49 CO 0.08 0.48 0.56 1.67 -1.08 0.00 0.00 175.30 177.02 1x5j s TRP 50 N -1.72 -0.49 0.11 5.89 -2.14 -1.21 -2.30 118.94 117.07 1x5j s TRP 50 Ca 0.30 0.60 -0.25 0.00 2.66 0.00 0.00 56.10 59.41 1x5j s TRP 50 Cb -0.10 0.38 0.08 0.00 -3.10 0.00 0.00 33.47 30.73 1x5j s TRP 50 CO 0.22 -0.66 0.67 -1.59 -2.66 0.00 0.00 176.95 172.94 1x5j s LYS 51 N -2.31 1.16 0.14 3.25 -2.85 -1.24 -2.55 119.74 115.33 1x5j s LYS 51 Ca -0.06 -0.38 0.04 0.00 -1.00 0.00 0.00 55.97 54.58 1x5j s LYS 51 Cb -0.01 0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 36.26 1x5j s LYS 51 CO -0.00 -0.50 0.13 -0.08 0.10 0.00 0.00 175.35 175.00 1x5j s THR 52 N -3.40 4.54 -2.12 3.79 -1.32 -1.26 -0.65 115.64 115.22 1x5j s THR 52 Ca 0.01 -0.99 0.23 0.00 -1.21 0.00 0.00 61.69 59.73 1x5j s THR 52 Cb -0.01 -3.29 0.60 0.00 -1.51 0.00 0.00 72.50 68.29 1x5j s THR 52 CO -0.10 -0.05 1.79 0.59 -2.21 0.00 0.00 174.62 174.63 1x5j n ASN 53 N -0.18 0.56 -3.90 8.08 4.13 -1.16 -4.70 115.26 118.10 1x5j n ASN 53 Ca -0.08 -1.41 -0.26 0.00 1.68 0.00 0.00 54.58 54.51 1x5j n ASN 53 Cb 0.54 -0.02 -0.17 0.00 -1.54 0.00 0.00 39.78 38.59 1x5j n ASN 53 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1x5j s ILE 54 N -1.95 0.96 0.00 2.41 -1.09 -1.26 -3.45 121.20 116.81 1x5j s ILE 54 Ca 0.34 -0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 1x5j s ILE 54 Cb 0.17 -0.98 0.00 0.00 -1.58 0.00 0.00 42.46 40.06 1x5j s ILE 54 CO 0.27 0.35 0.00 -0.81 -1.23 0.00 0.00 174.94 173.53 1x5j n PRO 55 N 4.88 0.13 -0.52 2.79 -0.04 -1.26 -4.95 135.00 136.02 1x5j n PRO 55 Ca -0.13 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.26 1x5j n PRO 55 Cb 0.50 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.99 1x5j n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5j n ALA 56 N -3.00 4.00 -3.15 0.55 0.00 -1.22 -4.61 120.51 113.07 1x5j n ALA 56 Ca 0.00 -0.72 0.06 0.00 0.00 0.00 0.00 53.44 52.77 1x5j n ALA 56 Cb 0.00 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 1x5j n ALA 56 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1x5j s ASN 57 N 0.89 -0.35 -0.04 0.00 0.02 -1.26 -5.15 114.94 109.05 1x5j s ASN 57 Ca 0.14 0.21 -0.14 0.00 -1.02 0.00 0.00 52.86 52.05 1x5j s ASN 57 Cb 0.11 1.29 0.02 0.00 0.02 0.00 0.00 41.25 42.69 1x5j s ASN 57 CO 0.01 -0.07 0.31 0.42 0.02 0.00 0.00 177.10 177.79 1x5j s THR 58 N 2.96 0.04 0.97 1.60 -4.23 -1.26 -5.03 115.64 110.70 1x5j s THR 58 Ca -0.01 -0.37 -0.12 0.00 -1.18 0.00 0.00 61.69 60.01 1x5j s THR 58 Cb -0.09 -0.57 0.17 0.00 1.34 0.00 0.00 72.50 73.35 1x5j s THR 58 CO -0.11 -0.20 1.09 -1.59 -0.54 0.00 0.00 174.62 173.27 1x5j s LYS 59 N -0.96 0.66 -0.28 3.99 0.00 -1.26 -4.99 119.74 116.89 1x5j s LYS 59 Ca -0.10 0.70 -0.16 0.00 0.00 0.00 0.00 55.97 56.41 1x5j s LYS 59 Cb -0.05 -1.75 -0.03 0.00 0.00 0.00 0.00 37.83 36.01 1x5j s LYS 59 CO 0.03 -2.62 0.42 0.71 0.00 0.00 0.00 175.35 173.89 1x5j s TYR 60 N -2.90 3.24 0.82 1.78 2.02 -1.26 -4.80 117.35 116.26 1x5j s TYR 60 Ca 0.65 0.42 -0.11 0.00 -0.37 0.00 0.00 57.07 57.67 1x5j s TYR 60 Cb -0.19 -2.65 0.12 0.00 -0.40 0.00 0.00 41.96 38.84 1x5j s TYR 60 CO 0.58 -0.28 1.16 0.15 -1.57 0.00 0.00 175.55 175.59 1x5j s LYS 61 N 2.16 1.60 -0.04 -0.62 1.02 -1.06 -4.93 119.74 117.87 1x5j s LYS 61 Ca 0.17 -0.27 -0.26 0.00 0.02 0.00 0.00 55.97 55.63 1x5j s LYS 61 Cb -0.16 -2.02 0.06 0.00 -0.52 0.00 0.00 37.83 35.19 1x5j s LYS 61 CO 0.10 -1.73 0.56 0.54 -0.92 0.00 0.00 175.35 173.90 1x5j s ASN 62 N -4.67 -0.51 -0.01 2.83 2.20 -1.25 -3.34 114.94 110.18 1x5j s ASN 62 Ca 0.66 0.51 0.04 0.00 -0.94 0.00 0.00 52.86 53.13 1x5j s ASN 62 Cb -0.08 0.47 -0.01 0.00 -2.00 0.00 0.00 41.25 39.63 1x5j s ASN 62 CO 0.49 -0.56 -0.12 0.00 -2.94 0.00 0.00 177.10 173.96 1x5j s ALA 63 N -1.25 1.01 -0.33 3.54 0.00 0.11 -4.92 121.76 119.92 1x5j s ALA 63 Ca -0.12 -0.54 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 1x5j s ALA 63 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 1x5j s ALA 63 CO 0.08 0.24 0.19 0.54 0.00 0.00 0.00 175.76 176.81 1x5j s ASN 64 N -0.34 5.72 -0.29 0.00 4.22 -1.26 -2.39 114.94 120.61 1x5j s ASN 64 Ca 0.04 -0.56 -0.15 0.00 -2.14 0.00 0.00 52.86 50.05 1x5j s ASN 64 Cb -0.05 -2.04 0.10 0.00 1.28 0.00 0.00 41.25 40.54 1x5j s ASN 64 CO -0.00 -0.23 0.76 0.00 -2.04 0.00 0.00 177.10 175.58 1x5j s ALA 65 N 1.64 -2.02 -0.70 3.54 0.00 -1.22 -5.06 121.76 117.94 1x5j s ALA 65 Ca 0.05 2.35 -0.18 0.00 0.00 0.00 0.00 51.96 54.19 1x5j s ALA 65 Cb -0.17 -1.57 0.13 0.00 0.00 0.00 0.00 23.12 21.51 1x5j s ALA 65 CO 0.08 -0.48 0.78 0.95 0.00 0.00 0.00 175.76 177.08 1x5j s THR 66 N 1.79 5.00 -0.02 0.00 -4.23 -1.26 -3.54 115.64 113.38 1x5j s THR 66 Ca -0.09 -1.45 -0.30 0.00 -1.18 0.00 0.00 61.69 58.67 1x5j s THR 66 Cb -0.06 -4.53 0.12 0.00 1.34 0.00 0.00 72.50 69.37 1x5j s THR 66 CO -0.19 -1.15 1.30 0.28 -0.54 0.00 0.00 174.62 174.32 1x5j s THR 67 N 2.07 0.00 -0.40 3.99 -1.32 -1.26 -5.01 115.64 113.70 1x5j s THR 67 Ca 0.16 -0.19 0.07 0.00 -1.21 0.00 0.00 61.69 60.52 1x5j s THR 67 Cb -0.18 -2.24 0.54 0.00 -1.51 0.00 0.00 72.50 69.11 1x5j s THR 67 CO 0.00 0.00 1.50 0.18 -2.21 0.00 0.00 174.62 174.09 1x5j n LEU 68 N -0.59 4.90 -3.81 9.08 4.77 -1.26 -4.92 117.00 125.17 1x5j n LEU 68 Ca -0.06 -2.53 -0.05 0.00 -0.03 0.00 0.00 56.01 53.34 1x5j n LEU 68 Cb 0.62 -0.68 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1x5j n LEU 68 CO 0.13 0.67 0.64 -0.55 -1.33 0.00 0.00 177.39 176.94 1x5j s SER 69 N -0.58 -0.15 -0.29 -1.43 0.15 -1.26 -2.13 113.70 108.01 1x5j s SER 69 Ca 0.40 -0.60 -0.16 0.00 0.70 0.00 0.00 55.95 56.29 1x5j s SER 69 Cb 0.31 0.61 0.13 0.00 -1.71 0.00 0.00 66.02 65.36 1x5j s SER 69 CO 0.10 -1.14 0.93 -0.47 1.20 0.00 0.00 173.24 173.85 1x5j s TYR 70 N -3.19 -0.65 -0.76 3.44 6.14 0.29 -4.97 117.35 117.64 1x5j s TYR 70 Ca 0.14 1.31 -0.12 0.00 0.64 0.00 0.00 57.07 59.04 1x5j s TYR 70 Cb -0.03 0.39 0.20 0.00 0.42 0.00 0.00 41.96 42.94 1x5j s TYR 70 CO 0.05 -0.32 0.67 -1.17 0.64 0.00 0.00 175.55 175.42 1x5j s LEU 71 N 1.36 6.39 0.08 6.97 1.98 -1.26 -0.10 118.68 134.10 1x5j s LEU 71 Ca -0.09 -2.65 -0.31 0.00 -2.89 0.00 0.00 54.13 48.19 1x5j s LEU 71 Cb -0.04 -2.13 -0.07 0.00 0.66 0.00 0.00 46.19 44.61 1x5j s LEU 71 CO -0.15 -0.55 1.28 -0.69 -1.89 0.00 0.00 176.35 174.34 1x5j s VAL 72 N 0.23 3.73 0.09 1.68 1.01 -0.69 -4.89 120.40 121.57 1x5j s VAL 72 Ca 0.16 1.24 0.02 0.00 0.00 0.00 0.00 61.98 63.40 1x5j s VAL 72 Cb -0.14 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1x5j s VAL 72 CO -0.07 0.09 -0.06 0.42 0.00 0.00 0.00 175.10 175.48 1x5j s THR 73 N 1.12 0.66 0.00 3.92 -4.23 -1.26 -2.11 115.64 113.74 1x5j s THR 73 Ca 0.61 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1x5j s THR 73 Cb -0.32 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 71.85 1x5j s THR 73 CO 0.29 -0.88 0.00 0.61 -0.54 0.00 0.00 174.62 174.11 1x5j n GLY 74 N -0.02 1.08 3.70 3.99 0.00 -1.14 -5.03 105.19 107.77 1x5j n GLY 74 Ca -0.12 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 1x5j n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5j s LEU 75 N -0.30 3.44 0.51 0.99 1.43 -1.26 -5.08 118.68 118.41 1x5j s LEU 75 Ca 0.00 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.56 1x5j s LEU 75 Cb 0.00 -2.07 -0.07 0.00 0.03 0.00 0.00 46.19 44.08 1x5j s LEU 75 CO 0.00 0.07 1.07 -0.54 0.23 0.00 0.00 176.35 177.18 1x5j s LYS 76 N -3.07 3.62 0.45 1.70 -0.14 -1.26 -4.11 119.74 116.93 1x5j s LYS 76 Ca 0.29 1.42 -0.23 0.00 -1.36 0.00 0.00 55.97 56.09 1x5j s LYS 76 Cb -0.09 -2.06 -0.08 0.00 -1.68 0.00 0.00 37.83 33.92 1x5j s LYS 76 CO 0.20 -0.60 1.17 -1.25 -0.76 0.00 0.00 175.35 174.11 1x5j s PRO 77 N -3.32 3.81 -1.56 -1.68 0.04 -1.26 -3.52 135.00 127.51 1x5j s PRO 77 Ca 0.69 1.79 -0.01 0.00 0.04 0.00 0.00 61.00 63.50 1x5j s PRO 77 Cb -0.19 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 31.91 1x5j s PRO 77 CO 0.24 -0.51 0.05 -1.71 0.04 0.00 0.00 177.00 175.11 1x5j n ASN 78 N -0.38 0.74 -4.14 6.66 4.05 -0.60 -4.88 115.26 116.71 1x5j n ASN 78 Ca 0.07 -1.26 -0.26 0.00 0.45 0.00 0.00 54.58 53.57 1x5j n ASN 78 Cb 0.48 -1.67 -0.16 0.00 1.23 0.00 0.00 39.78 39.66 1x5j n ASN 78 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1x5j s THR 79 N -4.31 1.45 0.16 -0.44 2.01 -1.23 -4.93 115.64 108.36 1x5j s THR 79 Ca 0.05 -0.73 -0.31 0.00 0.31 0.00 0.00 61.69 61.01 1x5j s THR 79 Cb -0.03 -1.25 -0.09 0.00 0.01 0.00 0.00 72.50 71.15 1x5j s THR 79 CO 1.00 0.42 1.46 -0.22 -0.69 0.00 0.00 174.62 176.58 1x5j s LEU 80 N 0.04 4.38 0.02 4.42 1.98 -1.26 -3.91 118.68 124.35 1x5j s LEU 80 Ca -0.04 2.49 -0.02 0.00 -2.89 0.00 0.00 54.13 53.67 1x5j s LEU 80 Cb -0.12 -3.60 -0.02 0.00 0.66 0.00 0.00 46.19 43.12 1x5j s LEU 80 CO 0.02 -0.72 0.02 -0.31 -1.89 0.00 0.00 176.35 173.48 1x5j s TYR 81 N 0.89 0.24 0.23 5.38 2.02 -1.24 -2.97 117.35 121.90 1x5j s TYR 81 Ca 0.65 -0.52 0.07 0.00 -0.37 0.00 0.00 57.07 56.91 1x5j s TYR 81 Cb -0.40 -0.18 -0.04 0.00 -0.40 0.00 0.00 41.96 40.94 1x5j s TYR 81 CO 0.33 -0.26 0.11 -1.21 -1.57 0.00 0.00 175.55 172.95 1x5j s GLU 82 N -1.93 2.68 -0.15 -0.62 2.02 0.17 -2.90 118.70 117.98 1x5j s GLU 82 Ca -0.11 -1.13 -0.09 0.00 0.02 0.00 0.00 54.97 53.66 1x5j s GLU 82 Cb -0.06 -2.44 0.05 0.00 0.10 0.00 0.00 34.13 31.78 1x5j s GLU 82 CO -0.02 0.41 0.37 -0.06 0.02 0.00 0.00 175.26 175.98 1x5j s PHE 83 N -2.07 -0.51 0.12 1.61 0.08 -1.12 -3.70 117.98 112.39 1x5j s PHE 83 Ca 0.31 1.13 -0.05 0.00 0.12 0.00 0.00 56.93 58.44 1x5j s PHE 83 Cb -0.08 0.20 -0.02 0.00 -0.57 0.00 0.00 43.02 42.54 1x5j s PHE 83 CO 0.22 -0.30 0.14 -1.12 -0.10 0.00 0.00 175.22 174.07 1x5j s SER 84 N 1.18 0.22 -0.07 1.36 0.01 -0.97 -2.17 113.70 113.26 1x5j s SER 84 Ca -0.08 -0.97 -0.03 0.00 1.31 0.00 0.00 55.95 56.18 1x5j s SER 84 Cb -0.08 0.33 0.04 0.00 0.21 0.00 0.00 66.02 66.52 1x5j s SER 84 CO -0.10 -0.76 0.15 -0.69 0.41 0.00 0.00 173.24 172.25 1x5j s VAL 85 N -3.97 -0.05 0.04 3.43 1.01 -1.26 -3.24 120.40 116.36 1x5j s VAL 85 Ca 0.16 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.32 1x5j s VAL 85 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 1x5j s VAL 85 CO -0.03 0.07 -0.05 0.00 0.00 0.00 0.00 175.10 175.09 1x5j s MET 86 N 1.17 0.47 -0.00 2.72 0.23 -1.20 -3.10 119.30 119.59 1x5j s MET 86 Ca -0.09 -0.79 0.05 0.00 -1.03 0.00 0.00 55.69 53.83 1x5j s MET 86 Cb -0.11 -0.08 -0.03 0.00 -1.53 0.00 0.00 34.83 33.08 1x5j s MET 86 CO -0.06 -0.01 -0.15 0.54 -2.03 0.00 0.00 175.02 173.31 1x5j s VAL 87 N -1.82 2.98 -0.02 5.16 0.11 -1.26 -2.22 120.40 123.33 1x5j s VAL 87 Ca -0.09 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.03 1x5j s VAL 87 Cb -0.07 -2.22 0.02 0.00 -1.53 0.00 0.00 36.38 32.58 1x5j s VAL 87 CO -0.01 0.46 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.32 1x5j s THR 88 N -0.84 0.16 -0.18 5.04 2.01 -1.22 -1.69 115.64 118.93 1x5j s THR 88 Ca 0.13 0.05 -0.31 0.00 0.31 0.00 0.00 61.69 61.88 1x5j s THR 88 Cb -0.11 -0.23 0.14 0.00 0.01 0.00 0.00 72.50 72.31 1x5j s THR 88 CO 0.03 0.12 1.11 -0.75 -0.69 0.00 0.00 174.62 174.44 1x5j s LYS 89 N 0.76 0.44 -1.10 4.92 2.20 -0.54 -3.56 119.74 122.86 1x5j s LYS 89 Ca -0.07 0.02 -0.02 0.00 -0.36 0.00 0.00 55.97 55.53 1x5j s LYS 89 Cb -0.11 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.39 1x5j s LYS 89 CO -0.01 -0.16 0.94 0.41 -0.36 0.00 0.00 175.35 176.17 1x5j n GLY 90 N 0.44 -0.66 2.26 5.54 0.00 -1.26 -2.01 105.19 109.50 1x5j n GLY 90 Ca -0.06 0.28 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 1x5j n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5j n ARG 91 N -3.68 -2.18 -4.29 1.61 1.74 -1.26 -4.89 116.66 103.71 1x5j n ARG 91 Ca -0.19 0.41 -0.16 0.00 -0.77 0.00 0.00 57.85 57.15 1x5j n ARG 91 Cb 0.64 -4.88 -0.10 0.00 -1.02 0.00 0.00 32.46 27.10 1x5j n ARG 91 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1x5j s ARG 92 N -4.47 1.32 0.18 5.56 1.81 -0.85 -5.18 118.95 117.32 1x5j s ARG 92 Ca 0.00 -1.70 -0.14 0.00 -1.72 0.00 0.00 55.73 52.17 1x5j s ARG 92 Cb 0.00 -0.27 0.01 0.00 -0.45 0.00 0.00 34.95 34.25 1x5j s ARG 92 CO 0.00 -0.24 0.42 -1.54 -0.68 0.00 0.00 175.30 173.26 1x5j s SER 93 N -3.27 -0.14 0.11 0.23 1.04 -1.26 -1.46 113.70 108.95 1x5j s SER 93 Ca 0.34 -0.61 0.10 0.00 0.48 0.00 0.00 55.95 56.26 1x5j s SER 93 Cb 0.07 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 1x5j s SER 93 CO 0.11 -0.97 -0.26 -0.94 0.98 0.00 0.00 173.24 172.16 1x5j s SER 94 N -2.90 3.37 1.29 7.02 1.04 -0.68 -3.75 113.70 119.09 1x5j s SER 94 Ca 0.11 -0.70 -0.19 0.00 0.48 0.00 0.00 55.95 55.66 1x5j s SER 94 Cb 0.01 -0.27 0.30 0.00 0.10 0.00 0.00 66.02 66.16 1x5j s SER 94 CO -0.03 0.19 0.73 1.07 0.98 0.00 0.00 173.24 176.19 1x5j n THR 95 N 1.04 0.00 -2.81 2.02 5.66 -1.26 -4.55 114.28 114.38 1x5j n THR 95 Ca -0.18 -0.19 -0.41 0.00 -3.05 0.00 0.00 64.05 60.23 1x5j n THR 95 Cb 0.53 -0.87 -0.04 0.00 -1.55 0.00 0.00 70.33 68.40 1x5j n THR 95 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1x5j s TRP 96 N -2.20 3.65 1.06 1.09 0.52 -1.26 -4.54 118.94 117.26 1x5j s TRP 96 Ca 0.62 1.58 -0.13 0.00 0.02 0.00 0.00 56.10 58.18 1x5j s TRP 96 Cb -0.15 -3.02 0.22 0.00 -1.15 0.00 0.00 33.47 29.37 1x5j s TRP 96 CO 0.57 0.05 1.09 -1.54 0.02 0.00 0.00 176.95 177.13 1x5j s SER 97 N 0.82 2.12 -0.08 2.95 1.04 -1.18 -4.87 113.70 114.50 1x5j s SER 97 Ca 0.47 1.13 -0.39 0.00 0.48 0.00 0.00 55.95 57.64 1x5j s SER 97 Cb -0.20 -1.76 -0.17 0.00 0.10 0.00 0.00 66.02 63.98 1x5j s SER 97 CO 0.25 -3.44 1.45 1.15 0.98 0.00 0.00 173.24 173.63 1x5j n MET 98 N -4.37 0.93 -2.38 4.02 0.00 -1.26 -4.70 117.12 109.36 1x5j n MET 98 Ca 0.06 0.34 -0.42 0.00 0.00 0.00 0.00 57.70 57.68 1x5j n MET 98 Cb 0.57 -1.97 -0.03 0.00 0.00 0.00 0.00 33.22 31.80 1x5j n MET 98 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1x5j s THR 99 N 1.54 3.80 -0.25 3.17 2.01 -1.26 -4.77 115.64 119.87 1x5j s THR 99 Ca 0.91 0.70 -0.23 0.00 0.31 0.00 0.00 61.69 63.38 1x5j s THR 99 Cb -1.07 -4.40 -0.01 0.00 0.01 0.00 0.00 72.50 67.04 1x5j s THR 99 CO 0.56 -1.10 0.74 0.00 -0.69 0.00 0.00 174.62 174.13 1x5j s ALA 100 N 6.02 3.62 -0.18 7.40 0.00 -0.92 -4.89 121.76 132.80 1x5j s ALA 100 Ca 0.54 -0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.03 1x5j s ALA 100 Cb -0.11 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1x5j s ALA 100 CO 0.26 -0.90 0.50 -1.01 0.00 0.00 0.00 175.76 174.61 1x5j s HIS 101 N 2.71 3.41 -0.14 0.00 3.76 -1.26 -2.81 115.29 120.95 1x5j s HIS 101 Ca 0.31 0.80 -0.01 0.00 -0.15 0.00 0.00 55.06 56.01 1x5j s HIS 101 Cb -0.15 -2.64 0.04 0.00 1.11 0.00 0.00 32.58 30.94 1x5j s HIS 101 CO 0.08 -0.03 -0.05 0.20 -0.85 0.00 0.00 174.74 174.09 1x5j s GLY 102 N 1.02 0.86 -0.50 -2.22 0.00 -1.14 -4.99 107.32 100.35 1x5j s GLY 102 Ca 0.24 -0.67 -0.18 0.00 0.00 0.00 0.00 44.72 44.11 1x5j s GLY 102 CO 0.10 0.93 0.58 -1.59 0.00 0.00 0.00 173.10 173.12 1x5j s THR 103 N 1.70 4.95 1.09 0.90 2.01 -1.26 -3.72 115.64 121.30 1x5j s THR 103 Ca 0.02 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.22 1x5j s THR 103 Cb -0.14 -4.27 0.12 0.00 0.01 0.00 0.00 72.50 68.22 1x5j s THR 103 CO -0.08 -0.78 0.29 0.35 -0.69 0.00 0.00 174.62 173.72 1x5j n THR 104 N 5.52 0.00 -2.22 -0.82 -2.24 -1.25 -4.87 114.28 108.41 1x5j n THR 104 Ca -0.08 -0.29 -0.28 0.00 -2.27 0.00 0.00 64.05 61.13 1x5j n THR 104 Cb 0.45 -0.68 0.04 0.00 -2.10 0.00 0.00 70.33 68.03 1x5j n THR 104 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1x5j s PHE 105 N -2.31 3.28 0.42 4.78 0.08 -1.26 -2.83 117.98 120.14 1x5j s PHE 105 Ca 0.59 0.79 -0.24 0.00 0.12 0.00 0.00 56.93 58.19 1x5j s PHE 105 Cb -0.16 -2.85 -0.08 0.00 -0.57 0.00 0.00 43.02 39.35 1x5j s PHE 105 CO 0.66 -0.94 1.09 -1.83 -0.10 0.00 0.00 175.22 174.10 1x5j s GLU 106 N -5.12 4.03 -0.08 0.44 1.03 -1.26 -1.55 118.70 116.19 1x5j s GLU 106 Ca 0.55 1.61 -0.04 0.00 0.03 0.00 0.00 54.97 57.12 1x5j s GLU 106 Cb -0.11 -2.51 -0.01 0.00 -0.80 0.00 0.00 34.13 30.70 1x5j s GLU 106 CO 0.47 -0.28 -0.08 1.25 -1.33 0.00 0.00 175.26 175.29 1x5j h LEU 107 N 2.37 0.00 -8.04 1.83 6.46 -1.96 -3.46 115.31 112.50 1x5j h LEU 107 Ca -0.49 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 56.93 1x5j h LEU 107 Cb 1.23 0.00 -0.27 0.00 -0.73 0.00 0.00 40.66 40.89 1x5j h LEU 107 CO 0.62 0.44 -0.76 -0.44 -0.62 0.00 0.00 178.44 177.68 1x5j s SER 108 N -4.86 0.90 0.00 1.25 0.01 -1.26 -5.13 113.70 104.61 1x5j s SER 108 Ca -0.07 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1x5j s SER 108 Cb 0.01 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1x5j s SER 108 CO 0.10 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1x5j n GLY 109 N 2.50 -1.04 3.68 3.44 0.00 -1.26 -5.16 105.19 107.34 1x5j n GLY 109 Ca -0.16 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1x5j n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5j s PRO 110 N -0.60 0.57 0.09 1.61 0.04 -1.26 -5.09 135.00 130.36 1x5j s PRO 110 Ca 0.00 0.58 -0.05 0.00 0.04 0.00 0.00 61.00 61.57 1x5j s PRO 110 Cb 0.00 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 1x5j s PRO 110 CO 0.00 -2.65 0.11 -1.12 0.04 0.00 0.00 177.00 173.38 1x5j s SER 111 N -3.44 0.26 0.47 6.66 0.01 -1.26 -5.18 113.70 111.21 1x5j s SER 111 Ca 0.65 -0.85 0.06 0.00 1.31 0.00 0.00 55.95 57.12 1x5j s SER 111 Cb -0.18 0.30 -0.02 0.00 0.21 0.00 0.00 66.02 66.33 1x5j s SER 111 CO 0.57 -0.70 0.25 -0.94 0.41 0.00 0.00 173.24 172.83 1x5j s SER 112 N -2.91 4.53 0.00 2.44 1.04 -1.26 -5.37 113.70 112.17 1x5j s SER 112 Ca 0.09 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1x5j s SER 112 Cb 0.06 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1x5j s SER 112 CO -0.08 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 173.98