#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 -0.65 0.06 1.61 1.04 -1.26 -5.18 113.70 109.32 1x5j s SER 2 Ca 0.00 1.02 0.02 0.00 0.48 0.00 0.00 55.95 57.47 1x5j s SER 2 Cb 0.00 0.98 -0.03 0.00 0.10 0.00 0.00 66.02 67.07 1x5j s SER 2 CO 0.00 -0.39 -0.07 -0.94 0.98 0.00 0.00 173.24 172.81 1x5j s SER 3 N -0.35 0.92 -0.01 7.02 1.04 -1.26 -5.16 113.70 115.90 1x5j s SER 3 Ca -0.05 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 55.73 1x5j s SER 3 Cb -0.03 0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.15 1x5j s SER 3 CO 0.05 -0.27 -0.03 -0.83 0.98 0.00 0.00 173.24 173.13 1x5j s GLY 4 N -1.93 0.25 -0.92 7.32 0.00 -1.26 -5.09 107.32 105.69 1x5j s GLY 4 Ca -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 44.72 44.56 1x5j s GLY 4 CO -0.01 0.07 0.88 1.44 0.00 0.00 0.00 173.10 175.48 1x5j n SER 5 N 3.35 4.50 -4.52 1.64 7.64 -1.26 -5.03 113.62 119.95 1x5j n SER 5 Ca -0.17 -3.17 -0.43 0.00 1.01 0.00 0.00 58.87 56.10 1x5j n SER 5 Cb 0.56 -1.07 -0.06 0.00 -1.01 0.00 0.00 64.21 62.62 1x5j n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5j s SER 6 N -0.35 6.34 0.00 6.43 0.15 -1.26 -4.60 113.70 120.40 1x5j s SER 6 Ca 0.29 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1x5j s SER 6 Cb -0.04 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1x5j s SER 6 CO -0.09 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.09 1x5j n GLY 7 N 5.05 -2.28 0.00 9.45 0.00 -1.26 -5.16 105.19 110.99 1x5j n GLY 7 Ca -0.01 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 -0.15 -1.62 1.61 -0.04 -1.26 -4.93 135.00 128.60 1x5j n PRO 8 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1x5j n PRO 8 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -0.86 1.52 -3.66 0.54 2.81 -1.26 -4.97 117.12 111.25 1x5j n MET 9 Ca 0.00 0.54 -0.37 0.00 -1.81 0.00 0.00 57.70 56.06 1x5j n MET 9 Cb 0.00 -2.05 -0.06 0.00 -0.71 0.00 0.00 33.22 30.40 1x5j n MET 9 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1x5j s MET 10 N -1.86 3.75 0.78 0.03 -1.94 -1.26 -4.52 119.30 114.28 1x5j s MET 10 Ca 0.60 0.17 -0.11 0.00 -1.71 0.00 0.00 55.69 54.64 1x5j s MET 10 Cb -0.60 -3.22 0.06 0.00 2.01 0.00 0.00 34.83 33.08 1x5j s MET 10 CO 0.59 0.69 1.09 -1.25 -0.01 0.00 0.00 175.02 176.13 1x5j s PRO 11 N -0.94 2.21 -0.11 2.03 0.04 -1.26 -4.84 135.00 132.12 1x5j s PRO 11 Ca 0.20 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 1x5j s PRO 11 Cb -0.14 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1x5j s PRO 11 CO 0.09 -1.68 1.53 -1.25 0.04 0.00 0.00 177.00 175.74 1x5j s PRO 12 N -4.91 4.13 0.58 0.56 0.04 -1.26 -4.94 135.00 129.21 1x5j s PRO 12 Ca 0.61 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.62 1x5j s PRO 12 Cb -0.17 -3.93 0.11 0.00 0.04 0.00 0.00 34.50 30.55 1x5j s PRO 12 CO 0.56 -0.88 0.79 1.33 0.04 0.00 0.00 177.00 178.84 1x5j n VAL 13 N 5.60 0.00 -1.03 -0.36 0.24 -0.81 -4.39 118.33 117.59 1x5j n VAL 13 Ca 0.17 -1.38 -0.01 0.00 -2.04 0.00 0.00 64.34 61.07 1x5j n VAL 13 Cb 0.44 -0.89 -0.00 0.00 -1.47 0.00 0.00 33.84 31.92 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 -1.26 0.15 3.58 7.63 0.00 -1.26 -0.37 105.19 113.65 1x5j n GLY 14 Ca 0.14 -0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 1x5j n GLY 14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x5j n VAL 15 N -2.12 0.38 -4.23 1.61 0.31 -1.26 -4.47 118.33 108.54 1x5j n VAL 15 Ca -0.01 -0.31 -0.13 0.00 -0.01 0.00 0.00 64.34 63.88 1x5j n VAL 15 Cb 0.46 -2.15 -0.10 0.00 -0.91 0.00 0.00 33.84 31.14 1x5j n VAL 15 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1x5j s GLN 16 N 5.72 1.18 -0.26 5.55 0.74 -1.07 -4.84 119.66 126.68 1x5j s GLN 16 Ca 1.01 -1.60 -0.02 0.00 0.05 0.00 0.00 55.36 54.80 1x5j s GLN 16 Cb -0.56 -0.04 0.08 0.00 1.10 0.00 0.00 33.01 33.59 1x5j s GLN 16 CO 0.43 -0.26 0.07 0.00 -0.55 0.00 0.00 175.29 174.98 1x5j s ALA 17 N -3.88 1.19 -0.66 1.58 0.00 -1.26 -3.33 121.76 115.40 1x5j s ALA 17 Ca 0.31 -1.19 -0.24 0.00 0.00 0.00 0.00 51.96 50.85 1x5j s ALA 17 Cb 0.07 -1.41 0.06 0.00 0.00 0.00 0.00 23.12 21.84 1x5j s ALA 17 CO 0.08 -1.46 1.04 -1.12 0.00 0.00 0.00 175.76 174.30 1x5j s SER 18 N 1.78 6.20 -0.57 0.00 0.01 -0.82 -4.87 113.70 115.42 1x5j s SER 18 Ca 0.05 -0.74 -0.27 0.00 1.31 0.00 0.00 55.95 56.30 1x5j s SER 18 Cb -0.17 -2.46 -0.09 0.00 0.21 0.00 0.00 66.02 63.51 1x5j s SER 18 CO -0.20 -1.50 2.46 -0.38 0.41 0.00 0.00 173.24 174.03 1x5j n ILE 19 N 6.08 -0.07 -0.00 1.44 2.08 -1.26 -2.65 119.36 124.97 1x5j n ILE 19 Ca -0.01 -0.69 -0.21 0.00 0.56 0.00 0.00 62.75 62.40 1x5j n ILE 19 Cb 0.47 -2.46 -0.14 0.00 -0.75 0.00 0.00 39.64 36.76 1x5j n ILE 19 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1x5j h LEU 20 N 18.70 0.34 0.00 1.39 3.38 -1.80 -3.49 115.31 133.82 1x5j h LEU 20 Ca -0.20 -0.84 -0.23 0.00 0.09 0.00 0.00 57.88 56.69 1x5j h LEU 20 Cb 1.27 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 1x5j h LEU 20 CO 1.19 1.55 -0.09 -1.20 0.09 0.00 0.00 178.44 179.98 1x5j n SER 21 N -4.02 -1.34 0.27 -0.43 7.64 -0.72 -4.95 113.62 110.07 1x5j n SER 21 Ca -0.24 -2.71 0.14 0.00 1.01 0.00 0.00 58.87 57.07 1x5j n SER 21 Cb 0.85 2.45 0.76 0.00 -1.01 0.00 0.00 64.21 67.26 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 1.93 0.00 0.00 1.43 2.07 -1.94 -2.95 115.15 115.68 1x5j h HIS 22 Ca -0.26 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.19 1x5j h HIS 22 Cb 1.09 0.00 -0.17 0.00 2.57 0.00 0.00 27.41 30.90 1x5j h HIS 22 CO 0.00 0.10 -0.68 -0.40 -3.07 0.00 0.00 177.93 173.88 1x5j n ASP 23 N -3.53 1.19 -3.79 3.10 5.75 -1.26 -3.82 116.55 114.18 1x5j n ASP 23 Ca -0.02 -2.67 -0.14 0.00 -0.01 0.00 0.00 54.79 51.95 1x5j n ASP 23 Cb 0.23 -0.36 -0.16 0.00 -1.03 0.00 0.00 41.12 39.81 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 -1.25 -0.05 -0.11 2.12 2.01 -1.11 -3.07 115.64 114.18 1x5j s THR 24 Ca 0.29 0.17 -0.07 0.00 0.31 0.00 0.00 61.69 62.39 1x5j s THR 24 Cb 0.31 -0.07 0.04 0.00 0.01 0.00 0.00 72.50 72.79 1x5j s THR 24 CO -0.09 0.07 0.26 -0.63 -0.69 0.00 0.00 174.62 173.54 1x5j s ILE 25 N 0.83 -0.02 -0.38 1.82 1.01 -1.15 -1.76 121.20 121.55 1x5j s ILE 25 Ca -0.07 0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.50 1x5j s ILE 25 Cb -0.10 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 41.99 1x5j s ILE 25 CO -0.02 0.04 0.41 -0.60 0.00 0.00 0.00 174.94 174.76 1x5j s ARG 26 N 0.83 3.35 -0.60 2.79 3.52 -1.09 -2.53 118.95 125.22 1x5j s ARG 26 Ca -0.06 -0.56 -0.11 0.00 -0.13 0.00 0.00 55.73 54.87 1x5j s ARG 26 Cb -0.07 -3.88 0.15 0.00 -1.56 0.00 0.00 34.95 29.60 1x5j s ARG 26 CO -0.05 -0.69 0.51 0.42 -0.81 0.00 0.00 175.30 174.68 1x5j s ILE 27 N 2.10 4.76 0.06 4.11 -1.09 0.12 -1.95 121.20 129.31 1x5j s ILE 27 Ca 0.12 -2.06 0.06 0.00 -2.23 0.00 0.00 60.65 56.54 1x5j s ILE 27 Cb -0.17 -4.05 -0.04 0.00 -1.58 0.00 0.00 42.46 36.63 1x5j s ILE 27 CO 0.13 -0.88 -0.12 0.42 -1.23 0.00 0.00 174.94 173.26 1x5j s THR 28 N 0.91 3.25 0.31 2.92 -4.23 -1.21 -0.18 115.64 117.40 1x5j s THR 28 Ca 0.10 -1.12 0.02 0.00 -1.18 0.00 0.00 61.69 59.51 1x5j s THR 28 Cb -0.22 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 1x5j s THR 28 CO -0.02 0.26 0.32 -1.66 -0.54 0.00 0.00 174.62 172.97 1x5j s TRP 29 N -1.07 1.39 -0.05 3.99 -2.14 -1.14 -2.59 118.94 117.33 1x5j s TRP 29 Ca 0.18 -1.46 0.03 0.00 2.66 0.00 0.00 56.10 57.50 1x5j s TRP 29 Cb -0.11 -0.46 0.01 0.00 -3.10 0.00 0.00 33.47 29.81 1x5j s TRP 29 CO 0.09 -0.92 -0.12 0.00 -2.66 0.00 0.00 176.95 173.35 1x5j s ALA 30 N -3.47 1.18 -0.83 2.67 0.00 0.49 -4.81 121.76 116.99 1x5j s ALA 30 Ca 0.37 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.89 1x5j s ALA 30 Cb 0.02 -0.49 0.21 0.00 0.00 0.00 0.00 23.12 22.86 1x5j s ALA 30 CO 0.22 0.14 0.70 0.34 0.00 0.00 0.00 175.76 177.16 1x5j s ASP 31 N 0.47 5.81 0.50 0.00 2.15 -1.26 -1.92 116.67 122.42 1x5j s ASP 31 Ca -0.10 -3.56 0.36 0.00 0.43 0.00 0.00 52.55 49.69 1x5j s ASP 31 Cb -0.13 -1.89 1.51 0.00 -0.30 0.00 0.00 42.92 42.11 1x5j s ASP 31 CO 0.03 -0.22 1.67 -0.55 -0.17 0.00 0.00 175.17 175.93 1x5j h ASN 32 N 6.19 0.13 -1.18 -0.34 7.08 -1.96 0.22 115.58 125.72 1x5j h ASN 32 Ca 0.13 0.06 0.39 0.00 -3.08 0.00 0.00 56.30 53.80 1x5j h ASN 32 Cb 0.84 0.05 -0.14 0.00 -2.08 0.00 0.00 38.32 36.99 1x5j h ASN 32 CO 0.82 -0.05 0.73 -1.28 -2.08 0.00 0.00 177.43 175.56 1x5j h SER 33 N 0.07 0.33 -3.79 6.14 0.87 -1.93 -3.40 113.55 111.84 1x5j h SER 33 Ca 0.76 0.16 -0.56 0.00 -1.23 0.00 0.00 61.79 60.93 1x5j h SER 33 Cb 2.73 0.14 0.13 0.00 -0.44 0.00 0.00 62.40 64.96 1x5j h SER 33 CO -0.18 -0.19 0.54 0.18 -0.53 0.00 0.00 176.83 176.65 1x5j n LEU 34 N -4.85 4.72 0.00 2.23 4.77 0.76 -5.01 117.00 119.61 1x5j n LEU 34 Ca 0.35 1.04 0.00 0.00 -0.03 0.00 0.00 56.01 57.37 1x5j n LEU 34 Cb 1.27 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1x5j n LEU 34 CO 0.16 -0.63 0.00 -0.81 -1.33 0.00 0.00 177.39 174.78 1x5j n PRO 35 N -0.44 -0.85 -0.41 3.23 -0.04 -1.26 -4.83 135.00 130.41 1x5j n PRO 35 Ca 0.08 0.00 0.33 0.00 -0.04 0.00 0.00 63.50 63.88 1x5j n PRO 35 Cb 0.42 0.00 0.62 0.00 -0.04 0.00 0.00 33.50 34.50 1x5j n PRO 35 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1x5j h LYS 36 N 0.00 0.16 -6.08 0.54 1.57 -1.95 -3.39 116.57 107.42 1x5j h LYS 36 Ca 0.00 -0.01 -0.56 0.00 -1.87 0.00 0.00 60.65 58.21 1x5j h LYS 36 Cb 0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1x5j h LYS 36 CO 0.00 0.10 -0.42 -3.38 -0.57 0.00 0.00 179.45 175.18 1x5j s HIS 37 N -5.32 3.49 -0.95 -1.35 -3.43 -1.26 -5.05 115.29 101.42 1x5j s HIS 37 Ca -0.08 0.24 -0.15 0.00 -0.80 0.00 0.00 55.06 54.28 1x5j s HIS 37 Cb 0.28 -1.76 0.20 0.00 -1.43 0.00 0.00 32.58 29.87 1x5j s HIS 37 CO 0.82 0.48 1.02 -0.65 -2.00 0.00 0.00 174.74 174.41 1x5j s GLN 38 N -3.08 3.77 -0.23 -0.38 -1.52 -1.26 -4.88 119.66 112.07 1x5j s GLN 38 Ca 0.36 -2.40 -0.06 0.00 -1.95 0.00 0.00 55.36 51.31 1x5j s GLN 38 Cb -0.11 -4.68 0.11 0.00 -0.22 0.00 0.00 33.01 28.11 1x5j s GLN 38 CO 0.28 -1.48 0.47 0.15 -0.25 0.00 0.00 175.29 174.46 1x5j s LYS 39 N 0.84 0.39 0.00 2.91 1.02 -1.26 -5.09 119.74 118.56 1x5j s LYS 39 Ca 0.28 1.05 0.00 0.00 0.02 0.00 0.00 55.97 57.31 1x5j s LYS 39 Cb -0.08 0.34 0.00 0.00 -0.52 0.00 0.00 37.83 37.58 1x5j s LYS 39 CO -0.08 -0.32 0.57 -0.89 -0.92 0.00 0.00 175.35 173.71 1x5j n ILE 40 N 5.40 0.00 -3.69 2.17 5.41 -1.26 -4.83 119.36 122.55 1x5j n ILE 40 Ca -0.08 1.01 -0.23 0.00 1.00 0.00 0.00 62.75 64.45 1x5j n ILE 40 Cb 0.50 -1.89 -0.06 0.00 -0.71 0.00 0.00 39.64 37.47 1x5j n ILE 40 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1x5j n THR 41 N -1.35 -0.52 -1.14 1.39 5.66 -1.26 -4.75 114.28 112.31 1x5j n THR 41 Ca 0.00 -0.26 0.06 0.00 -3.05 0.00 0.00 64.05 60.80 1x5j n THR 41 Cb 0.00 -0.60 0.09 0.00 -1.55 0.00 0.00 70.33 68.27 1x5j n THR 41 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1x5j n ASP 42 N -1.76 1.72 -2.24 1.09 8.00 -1.26 -4.97 116.55 117.14 1x5j n ASP 42 Ca -0.15 -2.66 -0.21 0.00 0.71 0.00 0.00 54.79 52.48 1x5j n ASP 42 Cb 0.44 -0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 41.19 1x5j n ASP 42 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1x5j n SER 43 N -0.98 -5.85 -4.74 -2.24 7.64 -1.26 -4.98 113.62 101.21 1x5j n SER 43 Ca 0.10 0.08 -0.23 0.00 1.01 0.00 0.00 58.87 59.83 1x5j n SER 43 Cb 0.60 -4.91 -0.06 0.00 -1.01 0.00 0.00 64.21 58.83 1x5j n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x5j s ARG 44 N -4.81 2.49 0.25 1.43 1.70 -1.26 -4.69 118.95 114.05 1x5j s ARG 44 Ca 0.00 -1.41 0.01 0.00 -0.47 0.00 0.00 55.73 53.86 1x5j s ARG 44 Cb 0.00 -2.27 -0.04 0.00 -0.57 0.00 0.00 34.95 32.06 1x5j s ARG 44 CO 0.00 0.21 0.12 1.52 -1.08 0.00 0.00 175.30 176.07 1x5j s TYR 45 N -2.34 1.42 0.07 5.89 1.13 -1.24 -4.93 117.35 117.35 1x5j s TYR 45 Ca 0.36 -1.29 0.06 0.00 -1.41 0.00 0.00 57.07 54.80 1x5j s TYR 45 Cb -0.05 -0.77 -0.03 0.00 -1.10 0.00 0.00 41.96 40.01 1x5j s TYR 45 CO 0.23 -0.48 -0.17 0.71 -2.51 0.00 0.00 175.55 173.33 1x5j s TYR 46 N -3.87 1.48 -0.10 -3.49 1.51 -1.23 -3.30 117.35 108.35 1x5j s TYR 46 Ca 0.38 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 56.04 1x5j s TYR 46 Cb 0.07 -0.83 0.01 0.00 -0.11 0.00 0.00 41.96 41.10 1x5j s TYR 46 CO 0.14 0.11 -0.14 0.99 -1.11 0.00 0.00 175.55 175.53 1x5j s THR 47 N -1.12 1.41 -0.23 -0.71 2.01 -1.16 -2.78 115.64 113.05 1x5j s THR 47 Ca 0.02 -0.60 -0.04 0.00 0.31 0.00 0.00 61.69 61.39 1x5j s THR 47 Cb -0.10 -1.29 -0.00 0.00 0.01 0.00 0.00 72.50 71.13 1x5j s THR 47 CO 0.03 0.42 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.65 1x5j s VAL 48 N 0.91 3.32 0.25 3.82 1.01 -1.20 -2.77 120.40 125.76 1x5j s VAL 48 Ca -0.09 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.36 1x5j s VAL 48 Cb -0.15 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1x5j s VAL 48 CO -0.00 0.35 0.10 0.00 0.00 0.00 0.00 175.10 175.55 1x5j s ARG 49 N 1.45 2.62 -0.21 2.72 1.70 -1.15 -0.92 118.95 125.16 1x5j s ARG 49 Ca 0.04 -1.22 -0.28 0.00 -0.47 0.00 0.00 55.73 53.81 1x5j s ARG 49 Cb -0.15 -2.37 0.12 0.00 -0.57 0.00 0.00 34.95 31.98 1x5j s ARG 49 CO -0.03 0.39 1.01 1.67 -1.08 0.00 0.00 175.30 177.26 1x5j s TRP 50 N -2.20 -0.41 0.26 5.89 -2.14 -0.97 -2.92 118.94 116.45 1x5j s TRP 50 Ca 0.32 0.85 -0.01 0.00 2.66 0.00 0.00 56.10 59.92 1x5j s TRP 50 Cb -0.07 0.41 -0.03 0.00 -3.10 0.00 0.00 33.47 30.68 1x5j s TRP 50 CO 0.22 -0.30 0.26 -1.59 -2.66 0.00 0.00 176.95 172.88 1x5j s LYS 51 N -0.56 1.48 -0.21 3.25 -2.85 -1.26 -2.20 119.74 117.40 1x5j s LYS 51 Ca 0.00 -1.70 -0.04 0.00 -1.00 0.00 0.00 55.97 53.23 1x5j s LYS 51 Cb -0.02 0.33 -0.01 0.00 -2.06 0.00 0.00 37.83 36.07 1x5j s LYS 51 CO -0.02 -0.54 -0.05 0.95 0.10 0.00 0.00 175.35 175.80 1x5j s THR 52 N -3.81 3.41 0.56 3.79 -4.23 -1.26 -3.13 115.64 110.97 1x5j s THR 52 Ca 0.36 -0.49 0.33 0.00 -1.18 0.00 0.00 61.69 60.72 1x5j s THR 52 Cb 0.04 -2.54 0.49 0.00 1.34 0.00 0.00 72.50 71.83 1x5j s THR 52 CO 0.17 0.43 1.80 -1.13 -0.54 0.00 0.00 174.62 175.35 1x5j h ASN 53 N 7.93 0.00 -3.24 3.99 -0.73 -1.98 -3.37 115.58 118.18 1x5j h ASN 53 Ca -0.40 0.00 -0.53 0.00 1.87 0.00 0.00 56.30 57.24 1x5j h ASN 53 Cb 1.17 0.00 -0.36 0.00 0.27 0.00 0.00 38.32 39.40 1x5j h ASN 53 CO 0.60 0.00 -0.81 -0.63 -0.37 0.00 0.00 177.43 176.22 1x5j s ILE 54 N -4.83 1.09 0.00 2.57 -1.09 -1.26 -3.51 121.20 114.18 1x5j s ILE 54 Ca -0.05 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 1x5j s ILE 54 Cb 0.20 -1.07 0.00 0.00 -1.58 0.00 0.00 42.46 40.01 1x5j s ILE 54 CO 0.71 0.37 0.00 -0.81 -1.23 0.00 0.00 174.94 173.98 1x5j n PRO 55 N 4.61 0.23 -0.06 2.79 -0.04 -1.26 -5.10 135.00 136.16 1x5j n PRO 55 Ca -0.16 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.26 1x5j n PRO 55 Cb 0.50 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.84 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 1.83 -3.13 0.55 0.00 -1.23 -4.77 120.51 110.76 1x5j n ALA 56 Ca 0.00 -0.92 -0.45 0.00 0.00 0.00 0.00 53.44 52.07 1x5j n ALA 56 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 19.45 19.24 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 -4.77 6.99 -0.06 0.00 0.01 -1.26 -4.97 114.94 110.88 1x5j s ASN 57 Ca -0.08 -2.91 -0.04 0.00 -0.71 0.00 0.00 52.86 49.12 1x5j s ASN 57 Cb 0.06 -2.31 0.02 0.00 0.41 0.00 0.00 41.25 39.43 1x5j s ASN 57 CO 0.67 -0.64 0.14 -0.89 -1.51 0.00 0.00 177.10 174.87 1x5j s THR 58 N 0.70 -0.01 -0.57 1.60 2.01 -1.26 -5.10 115.64 113.01 1x5j s THR 58 Ca 0.32 0.05 -0.27 0.00 0.31 0.00 0.00 61.69 62.10 1x5j s THR 58 Cb -0.07 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.21 1x5j s THR 58 CO -0.06 0.02 1.85 -0.54 -0.69 0.00 0.00 174.62 175.20 1x5j s LYS 59 N 0.36 2.73 0.20 4.92 -0.14 -1.26 -4.91 119.74 121.64 1x5j s LYS 59 Ca -0.02 0.75 -0.17 0.00 -1.36 0.00 0.00 55.97 55.16 1x5j s LYS 59 Cb -0.04 -4.36 -0.11 0.00 -1.68 0.00 0.00 37.83 31.64 1x5j s LYS 59 CO -0.01 -2.60 0.23 0.98 -0.76 0.00 0.00 175.35 173.19 1x5j n TYR 60 N 12.39 -0.83 -3.41 3.18 4.19 -1.26 -4.94 117.16 126.49 1x5j n TYR 60 Ca 0.21 0.57 -0.21 0.00 3.31 0.00 0.00 57.90 61.78 1x5j n TYR 60 Cb 0.51 -1.31 -0.00 0.00 0.49 0.00 0.00 39.34 39.03 1x5j n TYR 60 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 1x5j s LYS 61 N -0.70 3.18 -0.11 2.98 1.02 -0.94 -4.98 119.74 120.19 1x5j s LYS 61 Ca 0.43 -0.78 -0.27 0.00 0.02 0.00 0.00 55.97 55.37 1x5j s LYS 61 Cb -0.56 -2.75 0.06 0.00 -0.52 0.00 0.00 37.83 34.07 1x5j s LYS 61 CO 0.41 0.03 0.64 0.54 -0.92 0.00 0.00 175.35 176.06 1x5j s ASN 62 N -4.15 -0.63 0.37 2.83 2.20 -1.26 -2.29 114.94 112.01 1x5j s ASN 62 Ca 0.44 0.87 0.04 0.00 -0.94 0.00 0.00 52.86 53.27 1x5j s ASN 62 Cb -0.10 0.80 -0.05 0.00 -2.00 0.00 0.00 41.25 39.90 1x5j s ASN 62 CO 0.33 -0.47 0.08 0.00 -2.94 0.00 0.00 177.10 174.09 1x5j s ALA 63 N -0.69 2.71 -0.12 3.54 0.00 -0.10 -4.98 121.76 122.13 1x5j s ALA 63 Ca -0.08 -1.66 0.01 0.00 0.00 0.00 0.00 51.96 50.24 1x5j s ALA 63 Cb -0.02 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.74 1x5j s ALA 63 CO 0.06 -0.29 -0.15 -0.80 0.00 0.00 0.00 175.76 174.59 1x5j s ASN 64 N -3.57 2.48 -0.30 0.00 0.01 -1.26 -3.21 114.94 109.09 1x5j s ASN 64 Ca 0.30 -0.44 -0.08 0.00 -0.71 0.00 0.00 52.86 51.93 1x5j s ASN 64 Cb 0.06 -1.10 0.16 0.00 0.41 0.00 0.00 41.25 40.78 1x5j s ASN 64 CO 0.14 -0.00 0.70 0.00 -1.51 0.00 0.00 177.10 176.43 1x5j s ALA 65 N 1.11 -2.30 -0.74 0.60 0.00 -1.12 -5.04 121.76 114.27 1x5j s ALA 65 Ca -0.04 2.08 -0.21 0.00 0.00 0.00 0.00 51.96 53.79 1x5j s ALA 65 Cb -0.14 -1.99 0.09 0.00 0.00 0.00 0.00 23.12 21.07 1x5j s ALA 65 CO -0.04 -1.10 1.00 0.95 0.00 0.00 0.00 175.76 176.58 1x5j s THR 66 N 2.83 4.46 0.02 0.00 -4.23 -1.26 -3.47 115.64 113.99 1x5j s THR 66 Ca 0.04 -0.75 -0.19 0.00 -1.18 0.00 0.00 61.69 59.60 1x5j s THR 66 Cb -0.12 -4.71 0.06 0.00 1.34 0.00 0.00 72.50 69.08 1x5j s THR 66 CO -0.19 -1.46 0.89 1.07 -0.54 0.00 0.00 174.62 174.39 1x5j n THR 67 N 5.80 0.00 -0.95 3.99 5.66 -1.26 -4.96 114.28 122.56 1x5j n THR 67 Ca 0.04 -0.18 0.06 0.00 -3.05 0.00 0.00 64.05 60.92 1x5j n THR 67 Cb 0.46 0.45 0.37 0.00 -1.55 0.00 0.00 70.33 70.06 1x5j n THR 67 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1x5j n LEU 68 N 0.00 5.46 0.00 1.09 4.77 -1.26 -4.83 117.00 122.23 1x5j n LEU 68 Ca 0.02 -3.00 -0.09 0.00 -0.03 0.00 0.00 56.01 52.92 1x5j n LEU 68 Cb 0.42 -0.67 0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1x5j n LEU 68 CO 0.12 0.67 0.40 -1.54 -1.33 0.00 0.00 177.39 175.71 1x5j n SER 69 N 0.31 -1.86 -3.62 -1.43 3.41 -1.26 -2.88 113.62 106.29 1x5j n SER 69 Ca 0.28 -2.46 -0.07 0.00 -0.26 0.00 0.00 58.87 56.36 1x5j n SER 69 Cb 1.17 3.14 -0.06 0.00 -0.26 0.00 0.00 64.21 68.21 1x5j n SER 69 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1x5j s TYR 70 N -3.03 -0.24 -0.30 7.33 6.14 0.75 -4.96 117.35 123.04 1x5j s TYR 70 Ca 0.16 0.48 0.02 0.00 0.64 0.00 0.00 57.07 58.38 1x5j s TYR 70 Cb -0.04 0.45 0.09 0.00 0.42 0.00 0.00 41.96 42.88 1x5j s TYR 70 CO 0.12 -0.18 0.02 -0.51 0.64 0.00 0.00 175.55 175.64 1x5j s LEU 71 N -0.64 3.58 -0.29 6.97 1.43 -1.26 0.16 118.68 128.63 1x5j s LEU 71 Ca 0.04 -1.75 -0.27 0.00 -1.03 0.00 0.00 54.13 51.12 1x5j s LEU 71 Cb -0.02 -1.35 0.01 0.00 0.03 0.00 0.00 46.19 44.86 1x5j s LEU 71 CO -0.05 -0.34 0.95 -0.69 0.23 0.00 0.00 176.35 176.45 1x5j s VAL 72 N 1.19 4.67 0.24 -1.59 1.01 -1.05 -4.96 120.40 119.92 1x5j s VAL 72 Ca 0.05 1.60 0.12 0.00 0.00 0.00 0.00 61.98 63.74 1x5j s VAL 72 Cb -0.19 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 1x5j s VAL 72 CO -0.11 -0.31 -0.20 0.42 0.00 0.00 0.00 175.10 174.90 1x5j s THR 73 N 3.26 2.50 0.00 3.92 -4.23 -1.26 -2.91 115.64 116.91 1x5j s THR 73 Ca 0.40 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 1x5j s THR 73 Cb -0.14 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1x5j s THR 73 CO 0.12 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 1x5j n GLY 74 N -0.29 0.58 3.61 3.99 0.00 -1.18 -5.05 105.19 106.86 1x5j n GLY 74 Ca -0.08 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.85 2.84 0.13 0.99 1.43 -1.26 -5.11 118.68 115.85 1x5j s LEU 75 Ca 0.00 -1.37 -0.05 0.00 -1.03 0.00 0.00 54.13 51.67 1x5j s LEU 75 Cb 0.00 -0.87 -0.06 0.00 0.03 0.00 0.00 46.19 45.29 1x5j s LEU 75 CO 0.00 -0.46 0.38 -0.54 0.23 0.00 0.00 176.35 175.95 1x5j s LYS 76 N -3.72 3.63 0.61 1.70 3.01 -1.26 -4.48 119.74 119.23 1x5j s LYS 76 Ca 0.35 -0.06 -0.17 0.00 -1.01 0.00 0.00 55.97 55.08 1x5j s LYS 76 Cb 0.10 -2.87 -0.02 0.00 -1.01 0.00 0.00 37.83 34.02 1x5j s LYS 76 CO 0.18 0.48 1.12 -1.25 0.51 0.00 0.00 175.35 176.39 1x5j s PRO 77 N -2.54 3.03 -1.56 -1.68 0.04 -1.25 -3.37 135.00 127.68 1x5j s PRO 77 Ca 0.40 1.48 -0.20 0.00 0.04 0.00 0.00 61.00 62.72 1x5j s PRO 77 Cb -0.12 -1.97 0.20 0.00 0.04 0.00 0.00 34.50 32.64 1x5j s PRO 77 CO 0.23 -1.08 0.49 -1.71 0.04 0.00 0.00 177.00 174.98 1x5j n ASN 78 N -1.95 -1.58 -4.21 6.66 5.15 -0.25 -4.88 115.26 114.20 1x5j n ASN 78 Ca 0.11 -0.99 -0.33 0.00 -0.60 0.00 0.00 54.58 52.76 1x5j n ASN 78 Cb 0.52 -1.39 -0.15 0.00 -0.53 0.00 0.00 39.78 38.22 1x5j n ASN 78 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1x5j s THR 79 N -2.92 2.49 0.13 -0.44 2.01 -1.22 -4.92 115.64 110.78 1x5j s THR 79 Ca 0.69 -0.81 -0.34 0.00 0.31 0.00 0.00 61.69 61.54 1x5j s THR 79 Cb -0.40 -2.06 -0.13 0.00 0.01 0.00 0.00 72.50 69.91 1x5j s THR 79 CO 0.85 0.51 1.64 -0.11 -0.69 0.00 0.00 174.62 176.82 1x5j n LEU 80 N 4.39 3.27 -3.99 4.42 -0.00 -1.26 -4.18 117.00 119.64 1x5j n LEU 80 Ca -0.20 1.06 -0.15 0.00 -0.00 0.00 0.00 56.01 56.72 1x5j n LEU 80 Cb 0.51 -1.44 -0.14 0.00 -0.00 0.00 0.00 43.42 42.35 1x5j n LEU 80 CO 0.27 -0.19 -0.41 -0.31 -0.00 0.00 0.00 177.39 176.76 1x5j s TYR 81 N 1.41 0.55 0.01 1.96 2.02 -1.20 -4.03 117.35 118.08 1x5j s TYR 81 Ca 0.80 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 57.31 1x5j s TYR 81 Cb -0.65 -0.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.52 1x5j s TYR 81 CO 0.39 -0.02 0.08 -1.21 -1.57 0.00 0.00 175.55 173.22 1x5j s GLU 82 N -0.48 3.04 -0.01 -0.62 2.02 -1.18 -1.09 118.70 120.37 1x5j s GLU 82 Ca -0.01 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.46 1x5j s GLU 82 Cb -0.04 -2.84 0.01 0.00 0.10 0.00 0.00 34.13 31.37 1x5j s GLU 82 CO -0.00 0.63 0.00 -0.06 0.02 0.00 0.00 175.26 175.85 1x5j s PHE 83 N -1.24 0.16 0.01 1.61 0.08 0.13 -4.02 117.98 114.70 1x5j s PHE 83 Ca 0.24 0.02 -0.12 0.00 0.12 0.00 0.00 56.93 57.20 1x5j s PHE 83 Cb -0.12 -0.21 0.01 0.00 -0.57 0.00 0.00 43.02 42.13 1x5j s PHE 83 CO 0.16 -0.06 0.24 0.45 -0.10 0.00 0.00 175.22 175.91 1x5j s SER 84 N 0.54 -0.09 -0.02 1.36 0.15 -1.15 -0.32 113.70 114.17 1x5j s SER 84 Ca -0.05 -0.10 0.02 0.00 0.70 0.00 0.00 55.95 56.51 1x5j s SER 84 Cb -0.07 0.28 0.01 0.00 -1.71 0.00 0.00 66.02 64.53 1x5j s SER 84 CO -0.01 -0.46 -0.06 -0.69 1.20 0.00 0.00 173.24 173.22 1x5j s VAL 85 N -1.69 0.52 0.19 4.45 1.01 -1.26 -2.94 120.40 120.68 1x5j s VAL 85 Ca -0.12 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1x5j s VAL 85 Cb -0.05 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 1x5j s VAL 85 CO 0.01 0.18 -0.06 0.00 0.00 0.00 0.00 175.10 175.24 1x5j s MET 86 N 0.34 1.21 0.00 2.72 0.23 -1.11 -2.82 119.30 119.87 1x5j s MET 86 Ca -0.04 -1.57 0.05 0.00 -1.03 0.00 0.00 55.69 53.10 1x5j s MET 86 Cb -0.08 -0.66 -0.01 0.00 -1.53 0.00 0.00 34.83 32.54 1x5j s MET 86 CO -0.00 0.01 -0.15 0.54 -2.03 0.00 0.00 175.02 173.38 1x5j s VAL 87 N -3.34 1.21 -0.06 5.16 0.11 -1.26 -3.00 120.40 119.22 1x5j s VAL 87 Ca 0.22 -0.77 -0.01 0.00 -2.93 0.00 0.00 61.98 58.49 1x5j s VAL 87 Cb 0.04 -1.03 0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1x5j s VAL 87 CO 0.05 0.25 0.01 -0.89 -3.33 0.00 0.00 175.10 171.19 1x5j s THR 88 N -0.50 0.28 -1.00 5.04 2.01 -1.21 -1.32 115.64 118.94 1x5j s THR 88 Ca 0.05 0.17 -0.02 0.00 0.31 0.00 0.00 61.69 62.19 1x5j s THR 88 Cb -0.06 -0.45 0.30 0.00 0.01 0.00 0.00 72.50 72.30 1x5j s THR 88 CO 0.00 0.24 1.35 1.17 -0.69 0.00 0.00 174.62 176.69 1x5j n LYS 89 N 5.06 4.14 0.00 4.92 4.81 -0.63 -3.66 118.16 132.80 1x5j n LYS 89 Ca -0.08 -4.58 0.00 0.00 -0.87 0.00 0.00 58.31 52.78 1x5j n LYS 89 Cb 0.50 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.08 1x5j n LYS 89 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x5j n GLY 90 N 1.24 1.11 0.08 3.14 0.00 -1.26 -2.37 105.19 107.14 1x5j n GLY 90 Ca 0.27 0.35 -0.10 0.00 0.00 0.00 0.00 46.02 46.54 1x5j n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1x5j h ARG 91 N 0.00 0.05 -7.24 1.61 9.65 -2.01 -3.46 114.38 112.98 1x5j h ARG 91 Ca 0.00 -0.08 -0.49 0.00 -1.10 0.00 0.00 59.98 58.31 1x5j h ARG 91 Cb 0.00 0.03 0.06 0.00 -1.39 0.00 0.00 29.97 28.67 1x5j h ARG 91 CO 0.00 0.77 0.29 1.03 2.80 0.00 0.00 179.97 184.85 1x5j s ARG 92 N -2.63 3.22 -0.24 0.20 0.52 -1.00 -5.10 118.95 113.92 1x5j s ARG 92 Ca -0.04 0.36 -0.26 0.00 -0.52 0.00 0.00 55.73 55.26 1x5j s ARG 92 Cb 0.08 -2.18 0.11 0.00 0.52 0.00 0.00 34.95 33.49 1x5j s ARG 92 CO 0.83 -0.65 0.97 -1.54 0.02 0.00 0.00 175.30 174.93 1x5j s SER 93 N -4.24 -0.48 0.59 0.23 1.04 -1.26 -1.61 113.70 107.96 1x5j s SER 93 Ca 0.54 0.83 0.09 0.00 0.48 0.00 0.00 55.95 57.89 1x5j s SER 93 Cb -0.11 0.81 0.09 0.00 0.10 0.00 0.00 66.02 66.91 1x5j s SER 93 CO 0.49 -0.23 0.72 -0.94 0.98 0.00 0.00 173.24 174.27 1x5j s SER 94 N -0.12 4.92 0.55 7.02 1.04 -0.43 -4.61 113.70 122.07 1x5j s SER 94 Ca 0.01 -1.01 0.01 0.00 0.48 0.00 0.00 55.95 55.45 1x5j s SER 94 Cb -0.04 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.58 1x5j s SER 94 CO -0.03 -1.37 0.78 0.28 0.98 0.00 0.00 173.24 173.88 1x5j s THR 95 N -2.74 2.66 -0.05 2.02 -1.32 -1.26 -4.70 115.64 110.25 1x5j s THR 95 Ca 0.55 -0.67 -0.30 0.00 -1.21 0.00 0.00 61.69 60.07 1x5j s THR 95 Cb -0.04 -2.99 -0.04 0.00 -1.51 0.00 0.00 72.50 67.91 1x5j s THR 95 CO 0.35 0.00 1.34 0.26 -2.21 0.00 0.00 174.62 174.36 1x5j s TRP 96 N -2.77 2.87 0.97 9.09 0.52 -1.26 -4.63 118.94 123.74 1x5j s TRP 96 Ca 0.57 0.91 -0.11 0.00 0.02 0.00 0.00 56.10 57.49 1x5j s TRP 96 Cb -0.10 -3.59 0.18 0.00 -1.15 0.00 0.00 33.47 28.80 1x5j s TRP 96 CO 0.38 -2.13 1.11 -1.54 0.02 0.00 0.00 176.95 174.79 1x5j s SER 97 N 1.92 2.50 -0.43 2.95 1.04 -1.13 -4.76 113.70 115.79 1x5j s SER 97 Ca 0.61 1.95 -0.40 0.00 0.48 0.00 0.00 55.95 58.59 1x5j s SER 97 Cb -0.28 -2.47 -0.16 0.00 0.10 0.00 0.00 66.02 63.21 1x5j s SER 97 CO 0.23 -3.33 2.14 1.15 0.98 0.00 0.00 173.24 174.42 1x5j n MET 98 N -4.37 0.50 -1.52 4.02 0.00 -1.26 -4.66 117.12 109.84 1x5j n MET 98 Ca 0.09 0.14 -0.48 0.00 0.00 0.00 0.00 57.70 57.45 1x5j n MET 98 Cb 0.53 -1.94 -0.05 0.00 0.00 0.00 0.00 33.22 31.76 1x5j n MET 98 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1x5j n THR 99 N 6.72 0.28 -3.18 3.17 -1.04 -1.26 -4.86 114.28 114.11 1x5j n THR 99 Ca 0.48 -0.33 -0.40 0.00 -2.04 0.00 0.00 64.05 61.76 1x5j n THR 99 Cb 0.08 -2.02 -0.06 0.00 -1.82 0.00 0.00 70.33 66.51 1x5j n THR 99 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x5j s ALA 100 N 7.48 3.53 -0.14 2.41 0.00 0.57 -4.82 121.76 130.78 1x5j s ALA 100 Ca 1.05 -0.30 -0.16 0.00 0.00 0.00 0.00 51.96 52.55 1x5j s ALA 100 Cb -0.64 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1x5j s ALA 100 CO 0.44 -0.45 0.38 -1.01 0.00 0.00 0.00 175.76 175.12 1x5j s HIS 101 N 1.67 3.48 -0.18 0.00 0.09 -1.26 -0.69 115.29 118.39 1x5j s HIS 101 Ca 0.27 0.73 0.00 0.00 -0.00 0.00 0.00 55.06 56.06 1x5j s HIS 101 Cb -0.16 -2.45 0.04 0.00 -0.00 0.00 0.00 32.58 30.01 1x5j s HIS 101 CO 0.10 0.19 -0.08 0.20 -0.00 0.00 0.00 174.74 175.15 1x5j s GLY 102 N 0.58 1.09 -0.50 -2.22 0.00 -0.25 -4.95 107.32 101.08 1x5j s GLY 102 Ca 0.21 -0.98 -0.17 0.00 0.00 0.00 0.00 44.72 43.77 1x5j s GLY 102 CO 0.07 0.81 0.53 -1.59 0.00 0.00 0.00 173.10 172.92 1x5j s THR 103 N 1.53 5.03 1.06 0.90 2.01 -1.26 -3.22 115.64 121.69 1x5j s THR 103 Ca 0.00 -0.77 -0.16 0.00 0.31 0.00 0.00 61.69 61.07 1x5j s THR 103 Cb -0.15 -4.23 0.09 0.00 0.01 0.00 0.00 72.50 68.21 1x5j s THR 103 CO -0.08 -0.72 0.19 0.35 -0.69 0.00 0.00 174.62 173.66 1x5j n THR 104 N 5.43 0.00 -1.38 -0.82 -2.24 -1.26 -4.83 114.28 109.18 1x5j n THR 104 Ca -0.09 -0.27 -0.24 0.00 -2.27 0.00 0.00 64.05 61.19 1x5j n THR 104 Cb 0.44 -0.63 0.18 0.00 -2.10 0.00 0.00 70.33 68.23 1x5j n THR 104 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1x5j n PHE 105 N -4.16 -3.87 -3.16 4.78 3.72 -1.26 -2.73 117.46 110.77 1x5j n PHE 105 Ca 0.03 -0.87 -0.40 0.00 -0.05 0.00 0.00 57.45 56.16 1x5j n PHE 105 Cb 0.59 -0.86 -0.07 0.00 -0.94 0.00 0.00 39.48 38.21 1x5j n PHE 105 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1x5j s GLU 106 N -5.16 4.14 -0.14 -1.08 2.02 -1.26 -1.09 118.70 116.13 1x5j s GLU 106 Ca 0.58 0.50 -0.14 0.00 0.02 0.00 0.00 54.97 55.93 1x5j s GLU 106 Cb -0.03 -3.61 -0.11 0.00 0.10 0.00 0.00 34.13 30.47 1x5j s GLU 106 CO 0.43 -0.31 0.22 1.25 0.02 0.00 0.00 175.26 176.87 1x5j h LEU 107 N 8.52 0.00 -9.77 1.80 5.85 -1.95 -3.47 115.31 116.30 1x5j h LEU 107 Ca -0.30 -0.37 -0.56 0.00 0.84 0.00 0.00 57.88 57.49 1x5j h LEU 107 Cb 1.14 0.00 0.18 0.00 0.37 0.00 0.00 40.66 42.34 1x5j h LEU 107 CO 0.76 0.88 -0.12 -1.20 -0.34 0.00 0.00 178.44 178.42 1x5j n SER 108 N -4.63 -0.18 -4.37 1.25 7.64 -1.26 -5.01 113.62 107.05 1x5j n SER 108 Ca -0.10 0.69 -0.30 0.00 1.01 0.00 0.00 58.87 60.17 1x5j n SER 108 Cb 0.32 -1.31 -0.14 0.00 -1.01 0.00 0.00 64.21 62.07 1x5j n SER 108 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5j s GLY 109 N -1.43 1.50 0.45 0.23 0.00 -1.26 -5.12 107.32 101.69 1x5j s GLY 109 Ca 0.71 -1.38 -0.23 0.00 0.00 0.00 0.00 44.72 43.82 1x5j s GLY 109 CO 0.52 -1.31 1.17 2.56 0.00 0.00 0.00 173.10 176.04 1x5j s PRO 110 N -1.69 3.80 0.10 2.90 0.04 -1.26 -4.96 135.00 133.92 1x5j s PRO 110 Ca 0.13 1.79 -0.23 0.00 0.04 0.00 0.00 61.00 62.73 1x5j s PRO 110 Cb -0.10 -2.45 -0.13 0.00 0.04 0.00 0.00 34.50 31.86 1x5j s PRO 110 CO 0.04 -0.52 1.73 1.03 0.04 0.00 0.00 177.00 179.32 1x5j h SER 111 N 2.14 -0.08 -2.84 6.66 0.87 -2.07 -3.41 113.55 114.83 1x5j h SER 111 Ca -0.49 0.01 -0.54 0.00 -1.23 0.00 0.00 61.79 59.54 1x5j h SER 111 Cb 1.25 0.04 0.07 0.00 -0.44 0.00 0.00 62.40 63.31 1x5j h SER 111 CO 0.61 -0.04 0.89 -0.24 -0.53 0.00 0.00 176.83 177.52 1x5j n SER 112 N -5.13 3.70 0.00 6.23 2.88 -1.26 -5.36 113.62 114.67 1x5j n SER 112 Ca -0.06 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 1x5j n SER 112 Cb 0.07 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 61.98 1x5j n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42