#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5j n SER 2 N 0.00 0.29 -4.72 1.61 3.41 -1.26 -4.87 113.62 108.08 1x5j n SER 2 Ca 0.00 1.15 -0.42 0.00 -0.26 0.00 0.00 58.87 59.34 1x5j n SER 2 Cb 0.00 -1.12 -0.03 0.00 -0.26 0.00 0.00 64.21 62.79 1x5j n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x5j s SER 3 N -0.56 7.19 0.48 4.04 0.15 -1.26 -5.04 113.70 118.69 1x5j s SER 3 Ca 0.66 1.95 0.04 0.00 0.70 0.00 0.00 55.95 59.30 1x5j s SER 3 Cb -0.86 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 60.84 1x5j s SER 3 CO 0.57 -0.37 0.06 -0.83 1.20 0.00 0.00 173.24 173.87 1x5j s GLY 4 N 0.78 2.75 -0.01 9.45 0.00 -1.26 -5.08 107.32 113.95 1x5j s GLY 4 Ca 0.55 -1.17 -0.12 0.00 0.00 0.00 0.00 44.72 43.98 1x5j s GLY 4 CO 0.30 -2.12 0.67 0.23 0.00 0.00 0.00 173.10 172.18 1x5j h SER 5 N 1.41 -0.37 -3.57 1.64 0.87 -2.06 -3.43 113.55 108.05 1x5j h SER 5 Ca -0.43 0.01 -0.68 0.00 -1.23 0.00 0.00 61.79 59.47 1x5j h SER 5 Cb 1.29 0.10 -0.29 0.00 -0.44 0.00 0.00 62.40 63.05 1x5j h SER 5 CO 0.74 -0.10 -0.68 -0.94 -0.53 0.00 0.00 176.83 175.32 1x5j s SER 6 N -3.99 4.78 0.05 6.23 1.04 -1.26 -5.10 113.70 115.46 1x5j s SER 6 Ca -0.06 -0.80 0.07 0.00 0.48 0.00 0.00 55.95 55.63 1x5j s SER 6 Cb 0.01 -1.78 -0.03 0.00 0.10 0.00 0.00 66.02 64.32 1x5j s SER 6 CO 0.19 -0.17 -0.19 -0.83 0.98 0.00 0.00 173.24 173.22 1x5j s GLY 7 N 1.41 1.06 1.09 7.32 0.00 -1.26 -5.15 107.32 111.79 1x5j s GLY 7 Ca 0.01 -1.03 -0.18 0.00 0.00 0.00 0.00 44.72 43.52 1x5j s GLY 7 CO -0.01 -0.98 0.97 -1.55 0.00 0.00 0.00 173.10 171.54 1x5j n PRO 8 N 1.75 -2.92 -1.45 2.90 -0.04 -1.26 -4.92 135.00 129.07 1x5j n PRO 8 Ca -0.18 -1.55 -0.45 0.00 -0.04 0.00 0.00 63.50 61.28 1x5j n PRO 8 Cb 0.54 -1.45 -0.01 0.00 -0.04 0.00 0.00 33.50 32.53 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 -4.47 0.46 -3.01 0.54 2.81 -1.04 -4.89 117.12 107.52 1x5j n MET 9 Ca 0.13 0.16 -0.41 0.00 -1.81 0.00 0.00 57.70 55.78 1x5j n MET 9 Cb 0.52 -1.32 -0.05 0.00 -0.71 0.00 0.00 33.22 31.66 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 -1.27 4.16 0.93 0.03 1.00 -1.26 -4.23 119.30 118.66 1x5j s MET 10 Ca 0.62 0.74 -0.12 0.00 0.00 0.00 0.00 55.69 56.93 1x5j s MET 10 Cb -0.76 -3.63 0.15 0.00 0.00 0.00 0.00 34.83 30.58 1x5j s MET 10 CO 0.58 -0.43 1.09 -1.25 0.00 0.00 0.00 175.02 175.02 1x5j s PRO 11 N 2.53 1.02 1.23 2.03 0.04 -1.26 -4.89 135.00 135.71 1x5j s PRO 11 Ca 0.31 0.73 -0.20 0.00 0.04 0.00 0.00 61.00 61.87 1x5j s PRO 11 Cb -0.16 -1.79 0.30 0.00 0.04 0.00 0.00 34.50 32.90 1x5j s PRO 11 CO 0.08 -2.38 1.11 -1.25 0.04 0.00 0.00 177.00 174.61 1x5j s PRO 12 N -4.95 -1.48 0.20 0.56 0.04 -1.26 -4.88 135.00 123.23 1x5j s PRO 12 Ca 0.64 -0.16 0.04 0.00 0.04 0.00 0.00 61.00 61.56 1x5j s PRO 12 Cb -0.18 -1.57 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 1x5j s PRO 12 CO 0.57 -3.86 0.18 1.33 0.04 0.00 0.00 177.00 175.26 1x5j n VAL 13 N -4.85 0.00 -2.34 -0.36 0.24 0.75 -4.80 118.33 106.97 1x5j n VAL 13 Ca 0.15 -1.43 -0.13 0.00 -2.04 0.00 0.00 64.34 60.88 1x5j n VAL 13 Cb 0.60 0.73 -0.01 0.00 -1.47 0.00 0.00 33.84 33.69 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 -0.38 -0.34 3.57 7.63 0.00 -1.26 -1.58 105.19 112.84 1x5j n GLY 14 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.62 3.44 0.30 1.61 1.01 -1.26 -4.43 120.40 118.46 1x5j s VAL 15 Ca 0.00 0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.39 1x5j s VAL 15 Cb 0.00 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 1x5j s VAL 15 CO 0.00 -0.70 0.03 -1.10 0.00 0.00 0.00 175.10 173.32 1x5j s GLN 16 N 6.36 1.58 -0.04 2.72 -1.52 -1.16 -4.47 119.66 123.13 1x5j s GLN 16 Ca 0.72 -1.85 0.06 0.00 -1.95 0.00 0.00 55.36 52.33 1x5j s GLN 16 Cb -0.16 -0.87 -0.01 0.00 -0.22 0.00 0.00 33.01 31.75 1x5j s GLN 16 CO 0.27 -0.14 -0.22 0.00 -0.25 0.00 0.00 175.29 174.95 1x5j s ALA 17 N -3.28 1.89 -0.37 6.09 0.00 -1.26 -3.32 121.76 121.52 1x5j s ALA 17 Ca 0.34 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 51.30 1x5j s ALA 17 Cb 0.07 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 22.70 1x5j s ALA 17 CO 0.14 0.40 0.16 0.45 0.00 0.00 0.00 175.76 176.91 1x5j s SER 18 N -0.27 5.42 -0.71 0.00 0.15 -0.63 -4.93 113.70 112.74 1x5j s SER 18 Ca 0.01 -1.32 -0.26 0.00 0.70 0.00 0.00 55.95 55.08 1x5j s SER 18 Cb -0.11 -1.91 0.01 0.00 -1.71 0.00 0.00 66.02 62.30 1x5j s SER 18 CO 0.01 -0.41 1.56 -0.63 1.20 0.00 0.00 173.24 174.98 1x5j s ILE 19 N 1.39 3.56 -0.21 6.45 -1.09 -1.26 -2.16 121.20 127.88 1x5j s ILE 19 Ca 0.01 0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 1x5j s ILE 19 Cb -0.21 -4.48 -0.20 0.00 -1.58 0.00 0.00 42.46 35.99 1x5j s ILE 19 CO 0.02 -1.43 -0.02 0.18 -1.23 0.00 0.00 174.94 172.46 1x5j n LEU 20 N 10.98 2.70 0.00 2.97 4.77 -0.94 -5.05 117.00 132.42 1x5j n LEU 20 Ca 0.13 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.98 1x5j n LEU 20 Cb 0.50 -0.88 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 1x5j n LEU 20 CO 0.70 0.88 0.05 -1.20 -1.33 0.00 0.00 177.39 176.50 1x5j n SER 21 N -3.30 -0.82 0.15 -1.43 7.64 -0.93 -4.97 113.62 109.97 1x5j n SER 21 Ca -0.41 -2.46 0.02 0.00 1.01 0.00 0.00 58.87 57.04 1x5j n SER 21 Cb 1.02 1.62 0.36 0.00 -1.01 0.00 0.00 64.21 66.20 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 1.75 0.12 -0.13 1.43 2.07 -1.93 -3.18 115.15 115.29 1x5j h HIS 22 Ca -0.19 -0.02 -0.16 0.00 -2.85 0.00 0.00 60.37 57.15 1x5j h HIS 22 Cb 0.87 -0.03 -0.25 0.00 2.57 0.00 0.00 27.41 30.57 1x5j h HIS 22 CO 0.00 0.40 -0.82 -0.25 -3.07 0.00 0.00 177.93 174.19 1x5j n ASP 23 N -4.16 1.74 -3.75 3.10 8.00 -1.26 -3.99 116.55 116.23 1x5j n ASP 23 Ca -0.02 -2.90 -0.19 0.00 0.71 0.00 0.00 54.79 52.39 1x5j n ASP 23 Cb 0.37 -0.41 -0.17 0.00 -0.02 0.00 0.00 41.12 40.88 1x5j n ASP 23 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1x5j s THR 24 N -2.12 0.09 -0.09 -3.53 2.01 -1.20 -3.42 115.64 107.37 1x5j s THR 24 Ca 0.36 0.23 -0.07 0.00 0.31 0.00 0.00 61.69 62.52 1x5j s THR 24 Cb 0.38 -0.27 0.03 0.00 0.01 0.00 0.00 72.50 72.65 1x5j s THR 24 CO -0.10 0.18 0.24 -0.63 -0.69 0.00 0.00 174.62 173.62 1x5j s ILE 25 N 1.66 -0.01 -0.29 1.82 1.01 -1.09 -2.18 121.20 122.12 1x5j s ILE 25 Ca -0.01 0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.59 1x5j s ILE 25 Cb -0.13 -0.35 -0.02 0.00 0.01 0.00 0.00 42.46 41.97 1x5j s ILE 25 CO -0.03 0.02 0.15 -0.60 0.00 0.00 0.00 174.94 174.47 1x5j s ARG 26 N 0.45 3.53 -0.47 2.79 3.52 -0.92 -0.65 118.95 127.20 1x5j s ARG 26 Ca -0.03 -0.58 -0.15 0.00 -0.13 0.00 0.00 55.73 54.84 1x5j s ARG 26 Cb -0.04 -3.55 0.07 0.00 -1.56 0.00 0.00 34.95 29.87 1x5j s ARG 26 CO -0.02 -0.32 0.39 0.42 -0.81 0.00 0.00 175.30 174.96 1x5j s ILE 27 N 1.65 5.20 -0.04 4.11 -1.09 0.14 -1.61 121.20 129.56 1x5j s ILE 27 Ca 0.06 -1.08 0.02 0.00 -2.23 0.00 0.00 60.65 57.42 1x5j s ILE 27 Cb -0.16 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 36.58 1x5j s ILE 27 CO 0.07 -0.58 -0.09 0.42 -1.23 0.00 0.00 174.94 173.53 1x5j s THR 28 N 1.63 3.52 0.32 2.92 -4.23 -1.21 -0.87 115.64 117.73 1x5j s THR 28 Ca 0.04 -0.62 0.02 0.00 -1.18 0.00 0.00 61.69 59.95 1x5j s THR 28 Cb -0.24 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.13 1x5j s THR 28 CO 0.06 0.55 0.36 -1.66 -0.54 0.00 0.00 174.62 173.39 1x5j s TRP 29 N -0.84 1.36 0.02 3.99 -2.14 -1.23 -3.00 118.94 117.09 1x5j s TRP 29 Ca 0.13 -1.45 0.00 0.00 2.66 0.00 0.00 56.10 57.44 1x5j s TRP 29 Cb -0.11 -0.39 -0.02 0.00 -3.10 0.00 0.00 33.47 29.86 1x5j s TRP 29 CO 0.03 -0.98 -0.02 0.00 -2.66 0.00 0.00 176.95 173.31 1x5j s ALA 30 N -3.33 0.10 -0.43 2.67 0.00 -0.61 -4.80 121.76 115.35 1x5j s ALA 30 Ca 0.35 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.88 1x5j s ALA 30 Cb 0.01 0.12 0.12 0.00 0.00 0.00 0.00 23.12 23.37 1x5j s ALA 30 CO 0.23 -0.12 0.16 0.34 0.00 0.00 0.00 175.76 176.37 1x5j s ASP 31 N -1.14 4.65 0.26 0.00 2.15 -1.26 -0.18 116.67 121.15 1x5j s ASP 31 Ca -0.12 -2.53 -0.10 0.00 0.43 0.00 0.00 52.55 50.23 1x5j s ASP 31 Cb -0.08 -1.66 0.40 0.00 -0.30 0.00 0.00 42.92 41.28 1x5j s ASP 31 CO -0.01 -0.33 1.57 0.78 -0.17 0.00 0.00 175.17 177.01 1x5j h ASN 32 N 7.17 -0.93 -0.92 -0.34 2.35 -1.96 0.32 115.58 121.27 1x5j h ASN 32 Ca -0.06 0.28 0.25 0.00 -0.55 0.00 0.00 56.30 56.23 1x5j h ASN 32 Cb 0.97 0.60 -0.17 0.00 0.05 0.00 0.00 38.32 39.76 1x5j h ASN 32 CO 0.61 -0.31 0.02 -0.24 -1.65 0.00 0.00 177.43 175.87 1x5j n SER 33 N -5.58 -0.10 -4.40 5.81 2.88 -1.26 -4.50 113.62 106.46 1x5j n SER 33 Ca 0.14 1.57 -0.36 0.00 -1.33 0.00 0.00 58.87 58.88 1x5j n SER 33 Cb 0.46 -0.57 0.07 0.00 -0.75 0.00 0.00 64.21 63.42 1x5j n SER 33 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x5j n LEU 34 N -5.36 -0.26 0.00 2.46 4.77 0.11 -4.99 117.00 113.73 1x5j n LEU 34 Ca 0.22 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 1x5j n LEU 34 Cb 0.71 -1.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1x5j n LEU 34 CO -0.07 -3.56 0.00 -0.81 -1.33 0.00 0.00 177.39 171.62 1x5j n PRO 35 N -0.35 0.26 -0.07 3.23 -0.04 -1.26 -4.84 135.00 131.93 1x5j n PRO 35 Ca 0.08 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.41 1x5j n PRO 35 Cb 0.50 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.91 1x5j n PRO 35 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1x5j h LYS 36 N 0.00 0.56 -0.95 0.54 3.11 -1.94 -2.94 116.57 114.95 1x5j h LYS 36 Ca 0.00 -0.31 -0.04 0.00 -2.81 0.00 0.00 60.65 57.49 1x5j h LYS 36 Cb 0.00 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.23 1x5j h LYS 36 CO 0.00 0.91 0.05 -2.39 -2.81 0.00 0.00 179.45 175.21 1x5j n HIS 37 N -4.36 0.50 -2.81 1.91 1.44 -1.26 -4.84 115.22 105.80 1x5j n HIS 37 Ca -0.05 -0.39 -0.17 0.00 -2.01 0.00 0.00 57.72 55.10 1x5j n HIS 37 Cb 0.45 -0.26 -0.03 0.00 0.12 0.00 0.00 29.99 30.27 1x5j n HIS 37 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1x5j n GLN 38 N 0.14 -1.41 -2.66 -1.40 1.13 -1.11 -4.78 117.38 107.30 1x5j n GLN 38 Ca 0.08 0.05 -0.43 0.00 -1.94 0.00 0.00 57.00 54.77 1x5j n GLN 38 Cb 0.56 -3.02 -0.02 0.00 0.11 0.00 0.00 30.24 27.87 1x5j n GLN 38 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1x5j s LYS 39 N -4.34 4.03 -0.64 -1.09 -0.14 -1.26 -4.91 119.74 111.39 1x5j s LYS 39 Ca 0.33 1.00 -0.26 0.00 -1.36 0.00 0.00 55.97 55.68 1x5j s LYS 39 Cb -0.19 -3.75 -0.04 0.00 -1.68 0.00 0.00 37.83 32.17 1x5j s LYS 39 CO 0.40 -0.92 2.01 0.42 -0.76 0.00 0.00 175.35 176.51 1x5j s ILE 40 N 3.66 3.28 0.10 2.17 1.01 -1.26 -4.61 121.20 125.54 1x5j s ILE 40 Ca 0.45 0.07 0.07 0.00 0.00 0.00 0.00 60.65 61.23 1x5j s ILE 40 Cb -0.12 -3.72 -0.22 0.00 0.01 0.00 0.00 42.46 38.42 1x5j s ILE 40 CO 0.16 -0.69 1.20 0.71 0.00 0.00 0.00 174.94 176.32 1x5j h THR 41 N 7.14 1.60 -2.85 2.92 1.35 -2.01 -3.45 112.91 117.62 1x5j h THR 41 Ca -0.19 -3.33 -0.63 0.00 -0.55 0.00 0.00 66.41 61.71 1x5j h THR 41 Cb 1.15 2.80 -0.06 0.00 -1.73 0.00 0.00 68.15 70.32 1x5j h THR 41 CO 1.20 0.92 -0.38 -1.81 -0.25 0.00 0.00 175.52 175.20 1x5j s ASP 42 N -6.66 6.53 -1.22 5.36 1.01 -1.26 -5.02 116.67 115.40 1x5j s ASP 42 Ca 0.00 0.61 -0.09 0.00 0.71 0.00 0.00 52.55 53.78 1x5j s ASP 42 Cb 0.10 -2.11 0.20 0.00 1.01 0.00 0.00 42.92 42.11 1x5j s ASP 42 CO 0.82 0.31 1.66 -0.24 0.21 0.00 0.00 175.17 177.94 1x5j n SER 43 N 1.49 5.38 -4.90 0.27 2.88 -1.26 -4.98 113.62 112.49 1x5j n SER 43 Ca -0.14 -3.13 -0.21 0.00 -1.33 0.00 0.00 58.87 54.05 1x5j n SER 43 Cb 0.53 -1.46 -0.03 0.00 -0.75 0.00 0.00 64.21 62.51 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 -0.03 3.21 -0.18 -1.46 3.03 -1.26 -5.03 118.95 117.22 1x5j s ARG 44 Ca 0.38 -0.89 -0.03 0.00 2.03 0.00 0.00 55.73 57.22 1x5j s ARG 44 Cb 0.05 -2.74 -0.01 0.00 -1.03 0.00 0.00 34.95 31.21 1x5j s ARG 44 CO 0.02 0.42 -0.07 1.52 -1.13 0.00 0.00 175.30 176.05 1x5j s TYR 45 N -2.05 2.92 0.07 5.89 1.13 -1.25 -4.71 117.35 119.36 1x5j s TYR 45 Ca 0.33 -0.78 -0.22 0.00 -1.41 0.00 0.00 57.07 54.99 1x5j s TYR 45 Cb -0.08 -2.00 -0.06 0.00 -1.10 0.00 0.00 41.96 38.71 1x5j s TYR 45 CO 0.27 -0.38 0.66 0.71 -2.51 0.00 0.00 175.55 174.30 1x5j s TYR 46 N 0.98 3.79 -0.24 -3.49 2.02 -1.23 -3.54 117.35 115.64 1x5j s TYR 46 Ca -0.01 1.38 0.01 0.00 -0.37 0.00 0.00 57.07 58.09 1x5j s TYR 46 Cb -0.15 -2.65 0.04 0.00 -0.40 0.00 0.00 41.96 38.80 1x5j s TYR 46 CO -0.00 0.46 -0.11 0.99 -1.57 0.00 0.00 175.55 175.31 1x5j s THR 47 N -0.71 2.37 -0.33 -0.71 2.01 -0.65 -2.83 115.64 114.79 1x5j s THR 47 Ca 0.33 -1.32 -0.09 0.00 0.31 0.00 0.00 61.69 60.93 1x5j s THR 47 Cb -0.20 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.07 1x5j s THR 47 CO 0.21 0.15 0.14 -0.69 -0.69 0.00 0.00 174.62 173.74 1x5j s VAL 48 N 1.21 4.26 -0.04 3.82 1.01 -1.03 -2.72 120.40 126.91 1x5j s VAL 48 Ca -0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 1x5j s VAL 48 Cb -0.18 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1x5j s VAL 48 CO -0.06 -0.09 0.15 0.00 0.00 0.00 0.00 175.10 175.10 1x5j s ARG 49 N 1.52 3.39 0.04 2.72 1.70 -1.21 -1.20 118.95 125.90 1x5j s ARG 49 Ca 0.02 -0.28 -0.09 0.00 -0.47 0.00 0.00 55.73 54.91 1x5j s ARG 49 Cb -0.18 -3.09 0.00 0.00 -0.57 0.00 0.00 34.95 31.11 1x5j s ARG 49 CO 0.05 0.71 0.17 1.67 -1.08 0.00 0.00 175.30 176.82 1x5j s TRP 50 N -1.21 0.09 0.33 5.89 -2.14 0.70 -2.79 118.94 119.81 1x5j s TRP 50 Ca 0.23 -0.32 -0.18 0.00 2.66 0.00 0.00 56.10 58.49 1x5j s TRP 50 Cb -0.12 -0.05 0.06 0.00 -3.10 0.00 0.00 33.47 30.25 1x5j s TRP 50 CO 0.13 -0.41 0.85 -1.59 -2.66 0.00 0.00 176.95 173.26 1x5j s LYS 51 N -2.57 2.00 0.03 3.25 -2.85 -1.22 -2.12 119.74 116.26 1x5j s LYS 51 Ca -0.05 -1.28 0.00 0.00 -1.00 0.00 0.00 55.97 53.65 1x5j s LYS 51 Cb -0.01 0.56 -0.04 0.00 -2.06 0.00 0.00 37.83 36.28 1x5j s LYS 51 CO -0.04 -0.93 0.11 0.95 0.10 0.00 0.00 175.35 175.53 1x5j s THR 52 N -2.35 4.82 -0.82 3.79 -4.23 -1.26 -0.03 115.64 115.56 1x5j s THR 52 Ca 0.17 -0.49 0.27 0.00 -1.18 0.00 0.00 61.69 60.45 1x5j s THR 52 Cb -0.05 -3.26 0.26 0.00 1.34 0.00 0.00 72.50 70.80 1x5j s THR 52 CO 0.10 0.25 1.81 -3.20 -0.54 0.00 0.00 174.62 173.04 1x5j n ASN 53 N 0.82 0.50 -3.69 3.99 2.85 -0.96 -4.70 115.26 114.07 1x5j n ASN 53 Ca -0.10 0.55 -0.16 0.00 -0.11 0.00 0.00 54.58 54.76 1x5j n ASN 53 Cb 0.52 -0.69 -0.15 0.00 1.24 0.00 0.00 39.78 40.70 1x5j n ASN 53 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1x5j s ILE 54 N -3.08 -0.20 0.83 -1.44 1.01 -1.26 -3.18 121.20 113.88 1x5j s ILE 54 Ca 0.11 0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.95 1x5j s ILE 54 Cb 0.14 -0.28 0.09 0.00 0.01 0.00 0.00 42.46 42.42 1x5j s ILE 54 CO 0.55 0.13 1.09 -2.16 0.00 0.00 0.00 174.94 174.55 1x5j s PRO 55 N 1.96 1.77 0.16 2.79 0.04 -1.26 -5.04 135.00 135.42 1x5j s PRO 55 Ca -0.01 1.00 -0.20 0.00 0.04 0.00 0.00 61.00 61.83 1x5j s PRO 55 Cb -0.12 -1.85 0.06 0.00 0.04 0.00 0.00 34.50 32.62 1x5j s PRO 55 CO -0.06 -1.94 1.64 0.00 0.04 0.00 0.00 177.00 176.69 1x5j h ALA 56 N -1.33 0.02 -1.92 8.56 0.00 -1.83 -3.35 119.26 119.40 1x5j h ALA 56 Ca -0.46 0.11 -0.65 0.00 0.00 0.00 0.00 54.91 53.90 1x5j h ALA 56 Cb 1.26 0.43 -0.15 0.00 0.00 0.00 0.00 17.79 19.32 1x5j h ALA 56 CO 0.53 -0.59 0.31 1.21 0.00 0.00 0.00 179.25 180.71 1x5j s ASN 57 N -5.10 6.26 0.33 0.00 2.47 -1.26 -4.91 114.94 112.73 1x5j s ASN 57 Ca -0.14 -0.73 0.04 0.00 0.42 0.00 0.00 52.86 52.44 1x5j s ASN 57 Cb 0.13 -2.36 -0.04 0.00 -1.45 0.00 0.00 41.25 37.53 1x5j s ASN 57 CO 0.69 -1.10 0.16 0.42 -3.72 0.00 0.00 177.10 173.55 1x5j s THR 58 N 3.31 0.39 0.36 -5.21 -4.23 -1.26 -5.09 115.64 103.91 1x5j s THR 58 Ca 0.22 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.47 1x5j s THR 58 Cb -0.17 -2.49 -0.09 0.00 1.34 0.00 0.00 72.50 71.09 1x5j s THR 58 CO 0.14 0.00 1.02 -0.54 -0.54 0.00 0.00 174.62 174.70 1x5j s LYS 59 N -3.77 4.36 -0.26 3.99 1.02 -1.26 -5.02 119.74 118.80 1x5j s LYS 59 Ca 0.34 1.48 -0.12 0.00 0.02 0.00 0.00 55.97 57.68 1x5j s LYS 59 Cb 0.04 -2.69 -0.05 0.00 -0.52 0.00 0.00 37.83 34.62 1x5j s LYS 59 CO 0.18 0.04 0.25 0.71 -0.92 0.00 0.00 175.35 175.61 1x5j s TYR 60 N -1.60 3.27 -0.17 3.18 2.02 -1.26 -4.74 117.35 118.06 1x5j s TYR 60 Ca 0.54 0.28 -0.03 0.00 -0.37 0.00 0.00 57.07 57.48 1x5j s TYR 60 Cb -0.22 -2.41 -0.02 0.00 -0.40 0.00 0.00 41.96 38.91 1x5j s TYR 60 CO 0.28 -0.09 -0.05 0.15 -1.57 0.00 0.00 175.55 174.27 1x5j s LYS 61 N 1.57 3.59 0.37 -0.62 1.02 -0.90 -4.97 119.74 119.81 1x5j s LYS 61 Ca 0.11 -0.55 0.08 0.00 0.02 0.00 0.00 55.97 55.62 1x5j s LYS 61 Cb -0.15 -2.91 -0.06 0.00 -0.52 0.00 0.00 37.83 34.19 1x5j s LYS 61 CO 0.08 0.16 0.04 -0.80 -0.92 0.00 0.00 175.35 173.92 1x5j s ASN 62 N 0.57 4.13 -0.01 2.83 0.01 -1.26 -0.21 114.94 121.00 1x5j s ASN 62 Ca -0.03 -1.12 0.00 0.00 -0.71 0.00 0.00 52.86 51.00 1x5j s ASN 62 Cb -0.14 -0.47 0.02 0.00 0.41 0.00 0.00 41.25 41.06 1x5j s ASN 62 CO 0.03 -0.36 0.01 0.00 -1.51 0.00 0.00 177.10 175.27 1x5j s ALA 63 N -2.59 0.10 -0.33 0.60 0.00 -0.34 -4.95 121.76 114.24 1x5j s ALA 63 Ca 0.36 0.16 -0.14 0.00 0.00 0.00 0.00 51.96 52.34 1x5j s ALA 63 Cb 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1x5j s ALA 63 CO 0.20 -0.06 0.31 -0.80 0.00 0.00 0.00 175.76 175.41 1x5j s ASN 64 N 0.64 6.13 -0.30 0.00 0.01 -1.26 -2.47 114.94 117.69 1x5j s ASN 64 Ca -0.06 -0.27 -0.08 0.00 -0.71 0.00 0.00 52.86 51.75 1x5j s ASN 64 Cb -0.08 -2.17 0.14 0.00 0.41 0.00 0.00 41.25 39.55 1x5j s ASN 64 CO -0.02 -0.28 0.63 0.00 -1.51 0.00 0.00 177.10 175.93 1x5j s ALA 65 N 1.89 -2.05 -0.77 0.60 0.00 -1.13 -5.04 121.76 115.27 1x5j s ALA 65 Ca 0.09 2.20 -0.22 0.00 0.00 0.00 0.00 51.96 54.03 1x5j s ALA 65 Cb -0.17 -1.84 0.08 0.00 0.00 0.00 0.00 23.12 21.18 1x5j s ALA 65 CO 0.11 -1.01 1.10 0.95 0.00 0.00 0.00 175.76 176.91 1x5j s THR 66 N 2.88 4.28 0.01 0.00 -4.23 -1.26 -3.58 115.64 113.74 1x5j s THR 66 Ca -0.00 -0.56 -0.15 0.00 -1.18 0.00 0.00 61.69 59.80 1x5j s THR 66 Cb -0.13 -4.78 0.05 0.00 1.34 0.00 0.00 72.50 68.98 1x5j s THR 66 CO -0.19 -1.58 0.69 1.07 -0.54 0.00 0.00 174.62 174.06 1x5j n THR 67 N 6.00 0.00 -1.38 3.99 5.66 -1.26 -5.00 114.28 122.28 1x5j n THR 67 Ca 0.07 -0.12 -0.02 0.00 -3.05 0.00 0.00 64.05 60.93 1x5j n THR 67 Cb 0.47 0.34 0.21 0.00 -1.55 0.00 0.00 70.33 69.79 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 4.03 -3.32 1.09 4.77 -1.26 -4.92 117.00 117.39 1x5j n LEU 68 Ca 0.02 -3.66 0.03 0.00 -0.03 0.00 0.00 56.01 52.36 1x5j n LEU 68 Cb 0.32 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 1x5j n LEU 68 CO 0.09 1.17 0.44 -0.94 -1.33 0.00 0.00 177.39 176.82 1x5j s SER 69 N -2.48 -0.84 -0.08 -1.43 1.04 -1.26 -3.58 113.70 105.07 1x5j s SER 69 Ca 0.44 0.83 0.03 0.00 0.48 0.00 0.00 55.95 57.72 1x5j s SER 69 Cb 0.39 1.82 0.01 0.00 0.10 0.00 0.00 66.02 68.35 1x5j s SER 69 CO 0.01 -0.16 -0.16 -0.47 0.98 0.00 0.00 173.24 173.44 1x5j s TYR 70 N 2.74 1.86 -0.30 5.02 5.04 -0.05 -5.01 117.35 126.66 1x5j s TYR 70 Ca 0.03 -0.75 -0.10 0.00 -2.44 0.00 0.00 57.07 53.82 1x5j s TYR 70 Cb -0.10 -1.31 -0.01 0.00 0.35 0.00 0.00 41.96 40.88 1x5j s TYR 70 CO -0.17 -0.35 0.15 -1.17 -1.34 0.00 0.00 175.55 172.67 1x5j s LEU 71 N 0.62 4.06 0.11 6.97 0.20 -1.26 0.25 118.68 129.63 1x5j s LEU 71 Ca -0.15 -0.46 -0.30 0.00 0.69 0.00 0.00 54.13 53.91 1x5j s LEU 71 Cb -0.16 -2.01 -0.06 0.00 -0.43 0.00 0.00 46.19 43.53 1x5j s LEU 71 CO 0.04 -0.17 0.99 -0.69 -0.29 0.00 0.00 176.35 176.23 1x5j s VAL 72 N 1.63 4.42 0.04 1.68 1.01 0.17 -4.96 120.40 124.39 1x5j s VAL 72 Ca 0.05 1.99 0.02 0.00 0.00 0.00 0.00 61.98 64.04 1x5j s VAL 72 Cb -0.17 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 1x5j s VAL 72 CO 0.06 0.30 -0.08 0.42 0.00 0.00 0.00 175.10 175.80 1x5j s THR 73 N 0.06 0.54 0.00 3.92 -4.23 -1.26 -2.66 115.64 112.01 1x5j s THR 73 Ca 0.48 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1x5j s THR 73 Cb -0.24 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 72.99 1x5j s THR 73 CO 0.30 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1x5j n GLY 74 N 1.47 0.74 1.90 3.99 0.00 -1.22 -5.08 105.19 106.99 1x5j n GLY 74 Ca -0.23 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 1x5j n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5j n LEU 75 N -0.96 0.00 -4.60 0.99 4.77 -1.26 -5.13 117.00 110.81 1x5j n LEU 75 Ca 0.00 -1.61 -0.33 0.00 -0.03 0.00 0.00 56.01 54.04 1x5j n LEU 75 Cb 0.37 0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.48 1x5j n LEU 75 CO 0.00 -0.28 -0.37 -0.54 -1.33 0.00 0.00 177.39 174.87 1x5j s LYS 76 N -3.00 2.70 0.66 3.23 -0.14 -1.26 -4.74 119.74 117.19 1x5j s LYS 76 Ca 0.04 -0.60 -0.15 0.00 -1.36 0.00 0.00 55.97 53.90 1x5j s LYS 76 Cb -0.00 -2.58 -0.00 0.00 -1.68 0.00 0.00 37.83 33.57 1x5j s LYS 76 CO 0.03 0.64 1.11 -1.25 -0.76 0.00 0.00 175.35 175.12 1x5j s PRO 77 N -1.07 2.81 -1.45 -1.68 0.04 -1.26 -3.68 135.00 128.72 1x5j s PRO 77 Ca 0.15 1.39 -0.04 0.00 0.04 0.00 0.00 61.00 62.54 1x5j s PRO 77 Cb -0.11 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.48 1x5j s PRO 77 CO 0.04 -1.24 0.07 -1.71 0.04 0.00 0.00 177.00 174.20 1x5j n ASN 78 N -2.40 0.38 -3.73 6.66 4.05 -0.87 -4.88 115.26 114.46 1x5j n ASN 78 Ca 0.10 -1.23 -0.15 0.00 0.45 0.00 0.00 54.58 53.75 1x5j n ASN 78 Cb 0.52 -1.52 -0.16 0.00 1.23 0.00 0.00 39.78 39.85 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 -4.25 -0.10 0.20 -0.44 2.01 -1.24 -5.01 115.64 106.81 1x5j s THR 79 Ca 0.05 0.25 -0.31 0.00 0.31 0.00 0.00 61.69 62.00 1x5j s THR 79 Cb -0.03 -0.19 -0.09 0.00 0.01 0.00 0.00 72.50 72.19 1x5j s THR 79 CO 0.96 0.10 1.44 -0.22 -0.69 0.00 0.00 174.62 176.21 1x5j s LEU 80 N 1.46 4.38 0.20 4.42 1.98 -1.26 -4.23 118.68 125.63 1x5j s LEU 80 Ca -0.05 2.55 0.03 0.00 -2.89 0.00 0.00 54.13 53.77 1x5j s LEU 80 Cb -0.12 -3.61 -0.05 0.00 0.66 0.00 0.00 46.19 43.07 1x5j s LEU 80 CO -0.05 -0.69 -0.03 -0.31 -1.89 0.00 0.00 176.35 173.38 1x5j s TYR 81 N 0.48 1.42 0.06 5.38 2.02 -1.26 -2.27 117.35 123.19 1x5j s TYR 81 Ca 0.62 -0.90 0.06 0.00 -0.37 0.00 0.00 57.07 56.49 1x5j s TYR 81 Cb -0.41 -0.80 -0.04 0.00 -0.40 0.00 0.00 41.96 40.32 1x5j s TYR 81 CO 0.37 -0.04 -0.12 -2.00 -1.57 0.00 0.00 175.55 172.20 1x5j s GLU 82 N -3.84 2.19 -0.07 -0.62 2.12 0.96 -3.89 118.70 115.55 1x5j s GLU 82 Ca 0.24 -0.95 -0.03 0.00 0.36 0.00 0.00 54.97 54.60 1x5j s GLU 82 Cb 0.05 -2.31 0.04 0.00 0.26 0.00 0.00 34.13 32.17 1x5j s GLU 82 CO 0.06 0.54 0.15 -0.06 -0.54 0.00 0.00 175.26 175.40 1x5j s PHE 83 N -1.08 -0.16 0.13 5.30 0.08 -1.16 -3.38 117.98 117.71 1x5j s PHE 83 Ca 0.18 0.48 -0.11 0.00 0.12 0.00 0.00 56.93 57.60 1x5j s PHE 83 Cb -0.11 -0.08 0.00 0.00 -0.57 0.00 0.00 43.02 42.26 1x5j s PHE 83 CO 0.10 -0.17 0.29 0.45 -0.10 0.00 0.00 175.22 175.79 1x5j s SER 84 N 1.16 0.00 -0.01 1.36 0.15 -1.12 -0.99 113.70 114.25 1x5j s SER 84 Ca -0.09 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 55.91 1x5j s SER 84 Cb -0.11 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.62 1x5j s SER 84 CO -0.06 -0.83 0.01 -0.69 1.20 0.00 0.00 173.24 172.86 1x5j s VAL 85 N -3.89 0.03 0.01 4.45 1.01 -1.26 -3.30 120.40 117.44 1x5j s VAL 85 Ca 0.09 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 1x5j s VAL 85 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 36.32 1x5j s VAL 85 CO -0.07 0.05 0.06 0.00 0.00 0.00 0.00 175.10 175.15 1x5j s MET 86 N 0.44 0.40 0.08 2.72 0.23 -1.10 -3.43 119.30 118.63 1x5j s MET 86 Ca -0.04 -0.48 0.05 0.00 -1.03 0.00 0.00 55.69 54.20 1x5j s MET 86 Cb -0.06 0.16 -0.04 0.00 -1.53 0.00 0.00 34.83 33.36 1x5j s MET 86 CO -0.01 -0.08 -0.03 0.54 -2.03 0.00 0.00 175.02 173.40 1x5j s VAL 87 N -1.37 3.82 -0.04 5.16 0.11 -1.26 -1.64 120.40 125.17 1x5j s VAL 87 Ca -0.15 -1.00 -0.00 0.00 -2.93 0.00 0.00 61.98 57.90 1x5j s VAL 87 Cb -0.08 -2.79 0.03 0.00 -1.53 0.00 0.00 36.38 32.01 1x5j s VAL 87 CO 0.00 0.17 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.06 1x5j s THR 88 N -1.23 0.27 -0.81 5.04 2.01 -1.23 -1.68 115.64 118.01 1x5j s THR 88 Ca 0.23 0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.34 1x5j s THR 88 Cb -0.11 -0.39 0.34 0.00 0.01 0.00 0.00 72.50 72.34 1x5j s THR 88 CO 0.15 0.20 1.46 1.17 -0.69 0.00 0.00 174.62 176.91 1x5j n LYS 89 N 4.52 4.31 0.00 4.92 4.81 -0.31 -3.79 118.16 132.61 1x5j n LYS 89 Ca -0.18 -4.66 0.00 0.00 -0.87 0.00 0.00 58.31 52.59 1x5j n LYS 89 Cb 0.50 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 33.20 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 -0.19 2.11 0.08 3.14 0.00 -1.26 -3.40 105.19 105.66 1x5j n GLY 90 Ca 0.41 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 -6.71 1.61 9.65 -2.03 -3.46 114.38 113.44 1x5j h ARG 91 Ca 0.00 0.00 -0.50 0.00 -1.10 0.00 0.00 59.98 58.38 1x5j h ARG 91 Cb 0.00 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1x5j h ARG 91 CO 0.00 0.60 0.04 1.03 2.80 0.00 0.00 179.97 184.45 1x5j s ARG 92 N -2.67 3.82 0.14 0.20 3.00 -1.22 -5.09 118.95 117.13 1x5j s ARG 92 Ca -0.03 0.43 -0.10 0.00 0.00 0.00 0.00 55.73 56.04 1x5j s ARG 92 Cb 0.09 -2.47 -0.00 0.00 0.00 0.00 0.00 34.95 32.56 1x5j s ARG 92 CO 0.82 0.10 0.27 -1.54 0.00 0.00 0.00 175.30 174.95 1x5j s SER 93 N -2.81 0.03 -0.05 0.23 1.04 -1.26 -1.16 113.70 109.72 1x5j s SER 93 Ca 0.51 -0.74 0.06 0.00 0.48 0.00 0.00 55.95 56.26 1x5j s SER 93 Cb -0.10 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 1x5j s SER 93 CO 0.26 -0.85 -0.24 -0.94 0.98 0.00 0.00 173.24 172.45 1x5j s SER 94 N -2.92 2.96 1.13 7.02 1.04 -0.67 -2.50 113.70 119.76 1x5j s SER 94 Ca 0.12 -0.48 -0.18 0.00 0.48 0.00 0.00 55.95 55.89 1x5j s SER 94 Cb 0.03 -0.68 0.15 0.00 0.10 0.00 0.00 66.02 65.62 1x5j s SER 94 CO -0.04 0.26 0.16 1.07 0.98 0.00 0.00 173.24 175.66 1x5j n THR 95 N 2.82 0.00 -2.66 2.02 5.66 -1.26 -4.46 114.28 116.41 1x5j n THR 95 Ca -0.17 -0.27 -0.43 0.00 -3.05 0.00 0.00 64.05 60.13 1x5j n THR 95 Cb 0.52 -0.64 -0.02 0.00 -1.55 0.00 0.00 70.33 68.64 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 -2.21 3.33 1.18 1.09 0.52 -1.26 -4.67 118.94 116.90 1x5j s TRP 96 Ca 0.55 1.45 -0.15 0.00 0.02 0.00 0.00 56.10 57.97 1x5j s TRP 96 Cb -0.12 -3.29 0.28 0.00 -1.15 0.00 0.00 33.47 29.19 1x5j s TRP 96 CO 0.61 -0.51 1.03 -1.54 0.02 0.00 0.00 176.95 176.57 1x5j s SER 97 N 1.23 0.98 -0.14 2.95 1.04 -1.22 -4.83 113.70 113.71 1x5j s SER 97 Ca 0.44 1.21 -0.40 0.00 0.48 0.00 0.00 55.95 57.68 1x5j s SER 97 Cb -0.15 -1.85 -0.17 0.00 0.10 0.00 0.00 66.02 63.95 1x5j s SER 97 CO 0.07 -4.15 1.49 1.15 0.98 0.00 0.00 173.24 172.77 1x5j n MET 98 N -4.86 0.84 -2.40 4.02 0.00 -1.26 -4.72 117.12 108.75 1x5j n MET 98 Ca 0.06 0.31 -0.43 0.00 0.00 0.00 0.00 57.70 57.64 1x5j n MET 98 Cb 0.57 -1.93 -0.02 0.00 0.00 0.00 0.00 33.22 31.84 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 1.92 4.24 -0.32 3.17 2.01 -1.26 -4.80 115.64 120.59 1x5j s THR 99 Ca 0.93 1.49 -0.22 0.00 0.31 0.00 0.00 61.69 64.20 1x5j s THR 99 Cb -1.11 -3.97 -0.00 0.00 0.01 0.00 0.00 72.50 67.43 1x5j s THR 99 CO 0.60 -0.14 0.72 0.00 -0.69 0.00 0.00 174.62 175.12 1x5j s ALA 100 N 3.55 3.51 -0.33 7.40 0.00 -0.16 -4.90 121.76 130.84 1x5j s ALA 100 Ca 0.56 -0.56 -0.20 0.00 0.00 0.00 0.00 51.96 51.76 1x5j s ALA 100 Cb -0.22 -3.24 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 1x5j s ALA 100 CO 0.16 -1.21 0.61 -1.01 0.00 0.00 0.00 175.76 174.31 1x5j s HIS 101 N 2.85 3.19 -0.20 0.00 3.76 -1.26 -2.98 115.29 120.64 1x5j s HIS 101 Ca 0.29 0.45 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 1x5j s HIS 101 Cb -0.14 -3.03 0.05 0.00 1.11 0.00 0.00 32.58 30.57 1x5j s HIS 101 CO 0.13 -0.53 -0.07 0.20 -0.85 0.00 0.00 174.74 173.62 1x5j s GLY 102 N 1.71 1.17 -0.36 -2.22 0.00 -1.25 -4.93 107.32 101.44 1x5j s GLY 102 Ca 0.24 -1.13 -0.21 0.00 0.00 0.00 0.00 44.72 43.63 1x5j s GLY 102 CO 0.13 0.86 0.64 -1.59 0.00 0.00 0.00 173.10 173.14 1x5j s THR 103 N 1.48 4.88 0.95 0.90 2.01 -1.26 -4.08 115.64 120.51 1x5j s THR 103 Ca -0.02 0.56 -0.12 0.00 0.31 0.00 0.00 61.69 62.42 1x5j s THR 103 Cb -0.17 -4.09 0.16 0.00 0.01 0.00 0.00 72.50 68.41 1x5j s THR 103 CO -0.07 -0.34 1.09 0.42 -0.69 0.00 0.00 174.62 175.02 1x5j s THR 104 N 2.73 2.44 0.73 -0.82 -4.23 -1.26 -4.98 115.64 110.26 1x5j s THR 104 Ca 0.24 0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.78 1x5j s THR 104 Cb -0.14 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.23 1x5j s THR 104 CO 0.15 -0.19 1.11 -0.36 -0.54 0.00 0.00 174.62 174.79 1x5j s PHE 105 N -2.82 3.19 0.22 3.99 0.08 -1.26 -3.44 117.98 117.96 1x5j s PHE 105 Ca 0.65 1.03 -0.30 0.00 0.12 0.00 0.00 56.93 58.43 1x5j s PHE 105 Cb -0.20 -3.13 -0.08 0.00 -0.57 0.00 0.00 43.02 39.03 1x5j s PHE 105 CO 0.58 -1.36 1.00 -1.83 -0.10 0.00 0.00 175.22 173.52 1x5j s GLU 106 N -5.35 4.75 -0.11 0.44 -1.05 -1.26 -2.05 118.70 114.06 1x5j s GLU 106 Ca 0.59 1.59 -0.09 0.00 -0.15 0.00 0.00 54.97 56.91 1x5j s GLU 106 Cb -0.12 -3.27 -0.05 0.00 -0.44 0.00 0.00 34.13 30.25 1x5j s GLU 106 CO 0.52 0.35 -0.20 -0.11 0.95 0.00 0.00 175.26 176.77 1x5j n LEU 107 N 1.72 1.28 -4.86 1.83 7.94 -1.26 -4.93 117.00 118.71 1x5j n LEU 107 Ca -0.01 0.21 -0.35 0.00 -1.11 0.00 0.00 56.01 54.76 1x5j n LEU 107 Cb 0.47 -0.50 -0.05 0.00 0.53 0.00 0.00 43.42 43.87 1x5j n LEU 107 CO 0.52 -0.01 0.10 -0.55 -1.11 0.00 0.00 177.39 176.34 1x5j s SER 108 N -6.21 6.68 0.00 1.96 0.15 -1.26 -4.96 113.70 110.06 1x5j s SER 108 Ca -0.19 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1x5j s SER 108 Cb 0.06 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1x5j s SER 108 CO 0.26 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.47 1x5j n GLY 109 N 0.92 -1.04 3.75 9.45 0.00 -1.26 -5.10 105.19 111.91 1x5j n GLY 109 Ca -0.08 0.59 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 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 0.47 4.42 -0.28 1.61 0.04 -1.26 -5.03 135.00 134.96 1x5j s PRO 110 Ca 0.00 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 62.99 1x5j s PRO 110 Cb 0.00 -3.17 0.12 0.00 0.04 0.00 0.00 34.50 31.49 1x5j s PRO 110 CO 0.00 -0.17 0.62 0.45 0.04 0.00 0.00 177.00 177.94 1x5j s SER 111 N 0.00 -1.02 0.27 6.66 0.15 -1.26 -5.14 113.70 113.37 1x5j s SER 111 Ca 0.53 1.50 -0.30 0.00 0.70 0.00 0.00 55.95 58.38 1x5j s SER 111 Cb -0.36 2.09 -0.13 0.00 -1.71 0.00 0.00 66.02 65.91 1x5j s SER 111 CO 0.42 -0.22 1.45 -1.20 1.20 0.00 0.00 173.24 174.88 1x5j n SER 112 N 5.31 3.09 0.00 5.45 7.64 -1.26 -5.34 113.62 128.52 1x5j n SER 112 Ca -0.13 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.91 1x5j n SER 112 Cb 0.50 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1x5j n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64