#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 -0.27 0.24 1.61 1.04 -1.26 -5.19 113.70 109.87 1x5j s SER 2 Ca 0.00 0.52 -0.22 0.00 0.48 0.00 0.00 55.95 56.72 1x5j s SER 2 Cb 0.00 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.77 1x5j s SER 2 CO 0.00 -0.09 0.82 -0.55 0.98 0.00 0.00 173.24 174.40 1x5j s SER 3 N 0.29 -0.21 -0.19 7.02 0.15 -1.26 -5.18 113.70 114.33 1x5j s SER 3 Ca 0.03 -0.57 -0.12 0.00 0.70 0.00 0.00 55.95 55.99 1x5j s SER 3 Cb -0.05 0.65 0.06 0.00 -1.71 0.00 0.00 66.02 64.97 1x5j s SER 3 CO -0.11 -1.20 0.48 -0.83 1.20 0.00 0.00 173.24 172.77 1x5j s GLY 4 N -2.95 -0.39 -0.65 9.45 0.00 -1.26 -5.04 107.32 106.48 1x5j s GLY 4 Ca 0.12 1.69 -0.01 0.00 0.00 0.00 0.00 44.72 46.51 1x5j s GLY 4 CO 0.06 1.76 2.02 -1.26 0.00 0.00 0.00 173.10 175.67 1x5j n SER 5 N 4.07 7.36 -0.04 1.64 2.88 -1.26 -4.33 113.62 123.93 1x5j n SER 5 Ca -0.21 -3.77 -0.07 0.00 -1.33 0.00 0.00 58.87 53.48 1x5j n SER 5 Cb 0.56 -0.96 -0.03 0.00 -0.75 0.00 0.00 64.21 63.03 1x5j n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5j n SER 6 N -0.94 2.06 0.00 -3.46 7.64 -1.26 -5.09 113.62 112.58 1x5j n SER 6 Ca 0.63 0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.53 1x5j n SER 6 Cb 0.75 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1x5j n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5j n GLY 7 N 2.83 0.60 0.06 0.23 0.00 -1.26 -5.15 105.19 102.50 1x5j n GLY 7 Ca -0.15 -0.71 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.06 -3.23 1.61 -0.04 -1.26 -5.02 135.00 126.00 1x5j n PRO 8 Ca 0.00 -0.03 -0.38 0.00 -0.04 0.00 0.00 63.50 63.05 1x5j n PRO 8 Cb 0.00 -0.03 -0.06 0.00 -0.04 0.00 0.00 33.50 33.37 1x5j n PRO 8 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1x5j s MET 9 N -3.04 4.22 -0.13 0.54 -1.94 -1.26 -5.07 119.30 112.61 1x5j s MET 9 Ca 0.01 0.77 -0.07 0.00 -1.71 0.00 0.00 55.69 54.69 1x5j s MET 9 Cb -0.00 -3.15 -0.04 0.00 2.01 0.00 0.00 34.83 33.65 1x5j s MET 9 CO 0.01 0.58 0.13 0.00 -0.01 0.00 0.00 175.02 175.73 1x5j s MET 10 N -1.35 3.52 0.96 2.03 0.23 -1.26 -4.34 119.30 119.09 1x5j s MET 10 Ca 0.33 -0.16 -0.12 0.00 -1.03 0.00 0.00 55.69 54.71 1x5j s MET 10 Cb -0.19 -3.20 0.17 0.00 -1.53 0.00 0.00 34.83 30.08 1x5j s MET 10 CO 0.20 0.70 1.09 -1.25 -2.03 0.00 0.00 175.02 173.74 1x5j s PRO 11 N -0.81 0.73 1.21 3.16 0.04 -1.26 -4.85 135.00 133.22 1x5j s PRO 11 Ca 0.14 0.63 -0.20 0.00 0.04 0.00 0.00 61.00 61.61 1x5j s PRO 11 Cb -0.12 -1.76 0.29 0.00 0.04 0.00 0.00 34.50 32.95 1x5j s PRO 11 CO 0.03 -2.56 1.11 -1.25 0.04 0.00 0.00 177.00 174.38 1x5j s PRO 12 N -4.95 -1.32 0.27 0.56 0.04 -1.26 -4.99 135.00 123.34 1x5j s PRO 12 Ca 0.65 -0.10 0.02 0.00 0.04 0.00 0.00 61.00 61.60 1x5j s PRO 12 Cb -0.18 -1.59 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 1x5j s PRO 12 CO 0.57 -3.77 0.23 0.14 0.04 0.00 0.00 177.00 174.22 1x5j s VAL 13 N -3.01 0.00 -1.38 -0.36 -7.23 -0.45 -4.75 120.40 103.23 1x5j s VAL 13 Ca 0.71 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.91 1x5j s VAL 13 Cb -0.09 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.36 1x5j s VAL 13 CO 0.56 0.00 0.43 0.61 -0.31 0.00 0.00 175.10 176.39 1x5j n GLY 14 N -0.44 -0.35 3.63 2.32 0.00 -1.26 -0.78 105.19 108.30 1x5j n GLY 14 Ca 0.04 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.06 3.82 0.06 1.61 1.01 -1.26 -4.32 120.40 118.27 1x5j s VAL 15 Ca 0.21 0.93 0.02 0.00 0.00 0.00 0.00 61.98 63.14 1x5j s VAL 15 Cb -0.09 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1x5j s VAL 15 CO 0.27 -0.34 -0.07 -1.10 0.00 0.00 0.00 175.10 173.86 1x5j s GLN 16 N 4.52 0.61 -0.12 2.72 -0.21 -1.17 -4.81 119.66 121.20 1x5j s GLN 16 Ca 0.67 -0.95 0.03 0.00 0.02 0.00 0.00 55.36 55.13 1x5j s GLN 16 Cb -0.23 -0.22 0.00 0.00 1.00 0.00 0.00 33.01 33.57 1x5j s GLN 16 CO 0.27 0.02 -0.23 0.00 -2.12 0.00 0.00 175.29 173.23 1x5j s ALA 17 N -2.18 2.22 -0.40 6.09 0.00 -1.26 -3.21 121.76 123.01 1x5j s ALA 17 Ca -0.03 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 1x5j s ALA 17 Cb -0.05 -0.91 0.05 0.00 0.00 0.00 0.00 23.12 22.22 1x5j s ALA 17 CO -0.02 0.13 0.24 -1.12 0.00 0.00 0.00 175.76 175.00 1x5j s SER 18 N 0.58 5.73 -0.45 0.00 0.01 -0.35 -4.95 113.70 114.27 1x5j s SER 18 Ca -0.13 -1.23 -0.28 0.00 1.31 0.00 0.00 55.95 55.62 1x5j s SER 18 Cb -0.17 -2.02 0.01 0.00 0.21 0.00 0.00 66.02 64.05 1x5j s SER 18 CO 0.04 -0.47 1.48 -0.63 0.41 0.00 0.00 173.24 174.06 1x5j s ILE 19 N 1.51 3.80 -0.21 1.44 -1.09 -1.26 -2.34 121.20 123.04 1x5j s ILE 19 Ca 0.02 0.78 0.00 0.00 -2.23 0.00 0.00 60.65 59.22 1x5j s ILE 19 Cb -0.21 -4.19 -0.13 0.00 -1.58 0.00 0.00 42.46 36.35 1x5j s ILE 19 CO 0.05 -0.83 -0.20 0.18 -1.23 0.00 0.00 174.94 172.91 1x5j n LEU 20 N 9.35 2.85 0.00 2.97 4.77 -1.13 -5.05 117.00 130.76 1x5j n LEU 20 Ca 0.16 -0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 1x5j n LEU 20 Cb 0.48 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1x5j n LEU 20 CO 0.70 0.82 0.14 -1.20 -1.33 0.00 0.00 177.39 176.53 1x5j n SER 21 N -3.21 -1.11 0.20 -1.43 7.64 -1.15 -4.97 113.62 109.59 1x5j n SER 21 Ca -0.38 -2.52 0.05 0.00 1.01 0.00 0.00 58.87 57.02 1x5j n SER 21 Cb 0.89 2.07 0.42 0.00 -1.01 0.00 0.00 64.21 66.58 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 1.82 0.00 -0.19 1.43 2.07 -1.87 -3.08 115.15 115.32 1x5j h HIS 22 Ca -0.22 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.13 1x5j h HIS 22 Cb 0.96 0.00 -0.20 0.00 2.57 0.00 0.00 27.41 30.74 1x5j h HIS 22 CO 0.00 0.32 -0.72 -0.40 -3.07 0.00 0.00 177.93 174.05 1x5j n ASP 23 N -4.00 2.23 -3.74 3.10 5.75 -1.26 -4.12 116.55 114.51 1x5j n ASP 23 Ca -0.02 -3.34 -0.16 0.00 -0.01 0.00 0.00 54.79 51.26 1x5j n ASP 23 Cb 0.38 -0.44 -0.16 0.00 -1.03 0.00 0.00 41.12 39.86 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 -2.93 -0.08 -0.22 2.12 2.01 -1.16 -3.04 115.64 112.34 1x5j s THR 24 Ca 0.39 0.26 -0.05 0.00 0.31 0.00 0.00 61.69 62.60 1x5j s THR 24 Cb 0.38 -0.14 0.11 0.00 0.01 0.00 0.00 72.50 72.87 1x5j s THR 24 CO -0.06 0.11 0.40 -0.63 -0.69 0.00 0.00 174.62 173.75 1x5j s ILE 25 N 1.37 -0.64 -0.11 1.82 1.01 -0.85 -2.82 121.20 120.99 1x5j s ILE 25 Ca -0.06 0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.41 1x5j s ILE 25 Cb -0.12 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 1x5j s ILE 25 CO -0.04 -0.02 0.73 -0.60 0.00 0.00 0.00 174.94 175.01 1x5j s ARG 26 N 2.59 4.38 -0.32 2.79 3.52 -0.99 -0.93 118.95 129.99 1x5j s ARG 26 Ca 0.06 0.89 -0.00 0.00 -0.13 0.00 0.00 55.73 56.55 1x5j s ARG 26 Cb -0.14 -3.49 0.07 0.00 -1.56 0.00 0.00 34.95 29.83 1x5j s ARG 26 CO -0.14 -0.07 0.03 0.42 -0.81 0.00 0.00 175.30 174.73 1x5j s ILE 27 N 1.26 2.79 -0.07 4.11 -1.09 0.16 -1.21 121.20 127.15 1x5j s ILE 27 Ca 0.37 -1.73 0.02 0.00 -2.23 0.00 0.00 60.65 57.07 1x5j s ILE 27 Cb -0.17 -2.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.93 1x5j s ILE 27 CO 0.16 -0.30 -0.10 0.42 -1.23 0.00 0.00 174.94 173.89 1x5j s THR 28 N 1.14 3.44 0.33 2.92 -4.23 -1.20 0.01 115.64 118.06 1x5j s THR 28 Ca -0.00 -0.57 0.06 0.00 -1.18 0.00 0.00 61.69 59.99 1x5j s THR 28 Cb -0.20 -2.39 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 1x5j s THR 28 CO -0.04 0.59 0.32 -2.67 -0.54 0.00 0.00 174.62 172.28 1x5j n TRP 29 N 2.35 -0.92 -4.20 3.99 2.14 -0.51 -3.05 117.44 117.24 1x5j n TRP 29 Ca -0.18 -2.67 -0.16 0.00 2.07 0.00 0.00 57.50 56.57 1x5j n TRP 29 Cb 0.53 0.34 -0.08 0.00 -0.81 0.00 0.00 31.31 31.29 1x5j n TRP 29 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1x5j s ALA 30 N -3.22 1.30 -0.28 -1.67 0.00 0.04 -4.66 121.76 113.28 1x5j s ALA 30 Ca 0.37 -1.78 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 1x5j s ALA 30 Cb 0.01 1.36 0.17 0.00 0.00 0.00 0.00 23.12 24.66 1x5j s ALA 30 CO 0.26 -0.68 0.50 0.34 0.00 0.00 0.00 175.76 176.19 1x5j s ASP 31 N -3.26 -0.66 0.49 0.00 -1.08 -1.26 -1.34 116.67 109.56 1x5j s ASP 31 Ca 0.37 0.55 0.22 0.00 -0.52 0.00 0.00 52.55 53.17 1x5j s ASP 31 Cb 0.03 1.69 1.28 0.00 -1.46 0.00 0.00 42.92 44.47 1x5j s ASP 31 CO 0.20 -0.28 2.04 0.78 0.52 0.00 0.00 175.17 178.43 1x5j h ASN 32 N 8.08 0.00 -0.96 -0.34 2.35 -1.98 -2.57 115.58 120.16 1x5j h ASN 32 Ca -0.20 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.63 1x5j h ASN 32 Cb 1.16 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.46 1x5j h ASN 32 CO 0.26 0.15 0.62 -1.28 -1.65 0.00 0.00 177.43 175.53 1x5j h SER 33 N 0.00 0.93 -1.93 5.81 0.87 -1.97 -3.44 113.55 113.82 1x5j h SER 33 Ca -0.00 0.02 -0.61 0.00 -1.23 0.00 0.00 61.79 59.97 1x5j h SER 33 Cb 0.33 -0.17 0.17 0.00 -0.44 0.00 0.00 62.40 62.29 1x5j h SER 33 CO 0.02 0.56 -1.05 0.18 -0.53 0.00 0.00 176.83 176.00 1x5j n LEU 34 N -4.54 -3.22 0.00 2.23 4.77 -0.97 -4.95 117.00 110.32 1x5j n LEU 34 Ca 0.16 0.71 0.00 0.00 -0.03 0.00 0.00 56.01 56.85 1x5j n LEU 34 Cb 0.26 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 1x5j n LEU 34 CO 0.31 -4.52 0.00 -0.81 -1.33 0.00 0.00 177.39 171.04 1x5j n PRO 35 N 1.39 -0.83 -0.33 3.23 -0.04 -1.26 -4.87 135.00 132.29 1x5j n PRO 35 Ca 0.09 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.52 1x5j n PRO 35 Cb 0.45 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.91 1x5j n PRO 35 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x5j n LYS 36 N -1.37 -0.24 -3.30 0.54 5.02 -1.26 -4.39 118.16 113.16 1x5j n LYS 36 Ca 0.00 1.30 -0.24 0.00 -2.02 0.00 0.00 58.31 57.35 1x5j n LYS 36 Cb 0.00 -1.92 -0.01 0.00 -0.02 0.00 0.00 35.03 33.08 1x5j n LYS 36 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1x5j s HIS 37 N -5.71 3.48 0.09 2.13 -3.43 -1.26 -5.02 115.29 105.57 1x5j s HIS 37 Ca -0.11 0.36 -0.02 0.00 -0.80 0.00 0.00 55.06 54.49 1x5j s HIS 37 Cb 0.15 -1.95 -0.23 0.00 -1.43 0.00 0.00 32.58 29.12 1x5j s HIS 37 CO 0.59 0.06 1.19 1.96 -2.00 0.00 0.00 174.74 176.54 1x5j h GLN 38 N 0.69 0.24 -4.48 -0.38 7.50 -1.95 -3.46 115.11 113.27 1x5j h GLN 38 Ca -0.49 -0.38 -0.56 0.00 0.50 0.00 0.00 58.65 57.72 1x5j h GLN 38 Cb 1.22 0.14 -0.04 0.00 0.05 0.00 0.00 27.48 28.85 1x5j h GLN 38 CO 0.61 1.16 1.07 1.17 -1.50 0.00 0.00 178.83 181.34 1x5j n LYS 39 N -3.54 0.00 -2.20 1.46 3.00 -1.26 -4.73 118.16 110.88 1x5j n LYS 39 Ca -0.07 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.92 1x5j n LYS 39 Cb 0.98 -1.15 -0.04 0.00 0.00 0.00 0.00 35.03 34.81 1x5j n LYS 39 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1x5j s ILE 40 N 5.01 3.57 -0.36 3.15 1.01 -1.26 -4.77 121.20 127.55 1x5j s ILE 40 Ca 0.94 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 61.30 1x5j s ILE 40 Cb -1.12 -4.32 0.45 0.00 0.01 0.00 0.00 42.46 37.48 1x5j s ILE 40 CO 0.49 -1.24 1.13 0.35 0.00 0.00 0.00 174.94 175.66 1x5j n THR 41 N 7.48 2.24 -1.93 2.92 -2.24 -1.26 -4.79 114.28 116.70 1x5j n THR 41 Ca 0.35 -4.36 -0.26 0.00 -2.27 0.00 0.00 64.05 57.51 1x5j n THR 41 Cb 0.49 -0.87 0.03 0.00 -2.10 0.00 0.00 70.33 67.87 1x5j n THR 41 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1x5j n ASP 42 N -0.54 5.39 -4.36 3.42 2.03 -1.26 -4.94 116.55 116.29 1x5j n ASP 42 Ca 0.36 -3.76 -0.36 0.00 0.52 0.00 0.00 54.79 51.55 1x5j n ASP 42 Cb 0.80 -0.45 -0.07 0.00 -0.72 0.00 0.00 41.12 40.68 1x5j n ASP 42 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1x5j n SER 43 N -0.73 -1.07 -4.27 1.67 2.88 -1.26 -4.92 113.62 105.91 1x5j n SER 43 Ca 0.47 -1.19 -0.24 0.00 -1.33 0.00 0.00 58.87 56.58 1x5j n SER 43 Cb 0.90 -1.95 -0.13 0.00 -0.75 0.00 0.00 64.21 62.28 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 -7.17 1.17 0.03 -1.46 1.70 -1.26 -4.86 118.95 107.10 1x5j s ARG 44 Ca 0.48 -1.10 0.05 0.00 -0.47 0.00 0.00 55.73 54.69 1x5j s ARG 44 Cb -0.27 -1.39 -0.02 0.00 -0.57 0.00 0.00 34.95 32.69 1x5j s ARG 44 CO 0.99 0.33 -0.15 1.52 -1.08 0.00 0.00 175.30 176.91 1x5j s TYR 45 N -1.08 1.29 -0.04 5.89 1.13 -1.25 -4.79 117.35 118.50 1x5j s TYR 45 Ca 0.06 -0.34 -0.07 0.00 -1.41 0.00 0.00 57.07 55.32 1x5j s TYR 45 Cb -0.10 -0.77 -0.04 0.00 -1.10 0.00 0.00 41.96 39.95 1x5j s TYR 45 CO 0.04 0.03 0.22 0.71 -2.51 0.00 0.00 175.55 174.04 1x5j s TYR 46 N -0.78 3.59 -0.25 -3.49 2.02 -1.09 -3.06 117.35 114.29 1x5j s TYR 46 Ca 0.03 0.56 0.01 0.00 -0.37 0.00 0.00 57.07 57.29 1x5j s TYR 46 Cb -0.08 -1.97 0.04 0.00 -0.40 0.00 0.00 41.96 39.55 1x5j s TYR 46 CO 0.01 0.66 -0.10 0.99 -1.57 0.00 0.00 175.55 175.55 1x5j s THR 47 N -1.20 2.47 -0.30 -0.71 2.01 -0.62 -2.49 115.64 114.80 1x5j s THR 47 Ca 0.23 -1.29 -0.13 0.00 0.31 0.00 0.00 61.69 60.81 1x5j s THR 47 Cb -0.13 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 1x5j s THR 47 CO 0.12 0.14 0.27 -0.69 -0.69 0.00 0.00 174.62 173.77 1x5j s VAL 48 N 1.22 5.25 0.24 3.82 1.01 -1.25 -2.60 120.40 128.09 1x5j s VAL 48 Ca -0.03 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.17 1x5j s VAL 48 Cb -0.18 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1x5j s VAL 48 CO -0.06 0.12 0.28 0.00 0.00 0.00 0.00 175.10 175.44 1x5j s ARG 49 N 1.87 3.20 -0.27 2.72 1.70 -0.85 -1.88 118.95 125.44 1x5j s ARG 49 Ca 0.09 -0.88 -0.24 0.00 -0.47 0.00 0.00 55.73 54.24 1x5j s ARG 49 Cb -0.16 -2.75 0.08 0.00 -0.57 0.00 0.00 34.95 31.55 1x5j s ARG 49 CO 0.11 0.42 0.77 1.67 -1.08 0.00 0.00 175.30 177.20 1x5j s TRP 50 N -2.02 -0.77 0.13 5.89 -2.14 -1.24 -3.27 118.94 115.52 1x5j s TRP 50 Ca 0.33 1.81 -0.19 0.00 2.66 0.00 0.00 56.10 60.72 1x5j s TRP 50 Cb -0.09 0.33 0.05 0.00 -3.10 0.00 0.00 33.47 30.66 1x5j s TRP 50 CO 0.27 -0.37 0.47 -1.59 -2.66 0.00 0.00 176.95 173.07 1x5j s LYS 51 N 0.52 1.13 -0.02 3.25 0.00 -1.24 -2.66 119.74 120.72 1x5j s LYS 51 Ca -0.01 -0.60 -0.15 0.00 0.00 0.00 0.00 55.97 55.21 1x5j s LYS 51 Cb -0.05 0.51 -0.05 0.00 0.00 0.00 0.00 37.83 38.23 1x5j s LYS 51 CO -0.03 -0.46 0.42 0.95 0.00 0.00 0.00 175.35 176.24 1x5j s THR 52 N -3.68 5.05 0.27 3.79 -4.23 -1.26 -1.06 115.64 114.52 1x5j s THR 52 Ca 0.02 0.86 -0.01 0.00 -1.18 0.00 0.00 61.69 61.38 1x5j s THR 52 Cb 0.01 -3.73 0.13 0.00 1.34 0.00 0.00 72.50 70.24 1x5j s THR 52 CO -0.12 0.53 1.79 -1.13 -0.54 0.00 0.00 174.62 175.16 1x5j h ASN 53 N 5.08 0.74 -3.22 3.99 -0.00 -1.90 -3.42 115.58 116.85 1x5j h ASN 53 Ca -0.49 -0.16 -0.67 0.00 -0.00 0.00 0.00 56.30 54.97 1x5j h ASN 53 Cb 1.21 -0.20 -0.33 0.00 -0.00 0.00 0.00 38.32 39.01 1x5j h ASN 53 CO 0.64 0.78 -0.85 -0.63 -0.00 0.00 0.00 177.43 177.38 1x5j s ILE 54 N -5.05 2.27 0.92 2.57 1.01 -1.26 -1.78 121.20 119.88 1x5j s ILE 54 Ca -0.09 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.53 1x5j s ILE 54 Cb 0.15 -1.93 0.14 0.00 0.01 0.00 0.00 42.46 40.84 1x5j s ILE 54 CO 0.80 0.54 1.09 -2.16 0.00 0.00 0.00 174.94 175.21 1x5j s PRO 55 N 0.85 1.05 -0.03 2.79 0.04 -1.26 -5.04 135.00 133.39 1x5j s PRO 55 Ca -0.06 0.74 -0.21 0.00 0.04 0.00 0.00 61.00 61.51 1x5j s PRO 55 Cb -0.15 -1.79 -0.14 0.00 0.04 0.00 0.00 34.50 32.46 1x5j s PRO 55 CO -0.02 -2.37 0.94 0.00 0.04 0.00 0.00 177.00 175.59 1x5j h ALA 56 N -1.64 -0.41 -0.61 8.56 0.00 -1.63 -3.38 119.26 120.15 1x5j h ALA 56 Ca -0.51 -0.19 -0.35 0.00 0.00 0.00 0.00 54.91 53.86 1x5j h ALA 56 Cb 1.30 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 1x5j h ALA 56 CO 0.55 -0.47 1.04 1.21 0.00 0.00 0.00 179.25 181.58 1x5j s ASN 57 N -5.15 5.24 0.02 0.00 3.84 -1.26 -4.88 114.94 112.75 1x5j s ASN 57 Ca -0.12 -1.35 -0.00 0.00 0.21 0.00 0.00 52.86 51.59 1x5j s ASN 57 Cb 0.01 -2.58 -0.02 0.00 -0.55 0.00 0.00 41.25 38.11 1x5j s ASN 57 CO 0.43 -2.78 -0.03 -0.89 -2.79 0.00 0.00 177.10 171.05 1x5j s THR 58 N 10.01 0.11 1.11 -5.21 2.01 -1.26 -5.16 115.64 117.26 1x5j s THR 58 Ca 0.67 -0.94 -0.14 0.00 0.31 0.00 0.00 61.69 61.59 1x5j s THR 58 Cb -0.03 -0.31 0.25 0.00 0.01 0.00 0.00 72.50 72.43 1x5j s THR 58 CO 0.07 -0.51 1.06 -0.54 -0.69 0.00 0.00 174.62 174.01 1x5j s LYS 59 N -1.54 -0.51 0.18 4.92 -0.14 -1.26 -5.04 119.74 116.36 1x5j s LYS 59 Ca -0.15 0.47 0.09 0.00 -1.36 0.00 0.00 55.97 55.02 1x5j s LYS 59 Cb -0.09 -1.63 -0.04 0.00 -1.68 0.00 0.00 37.83 34.38 1x5j s LYS 59 CO -0.01 -3.35 -0.07 0.71 -0.76 0.00 0.00 175.35 171.87 1x5j s TYR 60 N -2.78 2.69 0.43 3.18 1.51 -1.26 -4.82 117.35 116.30 1x5j s TYR 60 Ca 0.67 -0.20 0.08 0.00 -1.01 0.00 0.00 57.07 56.61 1x5j s TYR 60 Cb -0.19 -1.30 -0.01 0.00 -0.11 0.00 0.00 41.96 40.35 1x5j s TYR 60 CO 0.60 0.52 0.43 0.15 -1.11 0.00 0.00 175.55 176.14 1x5j s LYS 61 N -2.91 2.56 -0.07 -0.62 -0.14 -1.09 -4.98 119.74 112.50 1x5j s LYS 61 Ca 0.26 -1.51 -0.31 0.00 -1.36 0.00 0.00 55.97 53.05 1x5j s LYS 61 Cb -0.09 -2.44 0.08 0.00 -1.68 0.00 0.00 37.83 33.70 1x5j s LYS 61 CO 0.16 -0.25 0.75 0.54 -0.76 0.00 0.00 175.35 175.79 1x5j s ASN 62 N -4.20 -0.59 0.36 2.83 2.20 -1.26 -3.61 114.94 110.67 1x5j s ASN 62 Ca 0.49 0.63 0.04 0.00 -0.94 0.00 0.00 52.86 53.08 1x5j s ASN 62 Cb -0.04 0.49 -0.03 0.00 -2.00 0.00 0.00 41.25 39.66 1x5j s ASN 62 CO 0.29 -0.56 0.15 0.00 -2.94 0.00 0.00 177.10 174.04 1x5j s ALA 63 N -1.22 2.44 -0.19 3.54 0.00 -0.79 -4.94 121.76 120.60 1x5j s ALA 63 Ca -0.09 -1.57 -0.04 0.00 0.00 0.00 0.00 51.96 50.27 1x5j s ALA 63 Cb -0.00 0.95 0.06 0.00 0.00 0.00 0.00 23.12 24.14 1x5j s ALA 63 CO 0.08 -0.43 0.06 -0.80 0.00 0.00 0.00 175.76 174.67 1x5j s ASN 64 N -3.49 2.75 -0.25 0.00 0.01 -1.26 -3.83 114.94 108.86 1x5j s ASN 64 Ca 0.31 -0.79 -0.12 0.00 -0.71 0.00 0.00 52.86 51.55 1x5j s ASN 64 Cb 0.04 -0.45 0.09 0.00 0.41 0.00 0.00 41.25 41.34 1x5j s ASN 64 CO 0.17 -0.33 0.59 0.00 -1.51 0.00 0.00 177.10 176.02 1x5j s ALA 65 N 1.97 -1.66 -0.73 0.60 0.00 -1.04 -5.03 121.76 115.87 1x5j s ALA 65 Ca 0.01 2.11 -0.20 0.00 0.00 0.00 0.00 51.96 53.88 1x5j s ALA 65 Cb -0.17 -1.40 0.10 0.00 0.00 0.00 0.00 23.12 21.65 1x5j s ALA 65 CO -0.10 -0.54 0.95 0.95 0.00 0.00 0.00 175.76 177.02 1x5j s THR 66 N 2.02 4.59 -0.00 0.00 -4.23 -1.26 -2.67 115.64 114.08 1x5j s THR 66 Ca -0.08 -0.93 -0.29 0.00 -1.18 0.00 0.00 61.69 59.21 1x5j s THR 66 Cb -0.08 -4.67 0.11 0.00 1.34 0.00 0.00 72.50 69.20 1x5j s THR 66 CO -0.17 -1.39 1.27 0.28 -0.54 0.00 0.00 174.62 174.06 1x5j s THR 67 N 3.25 0.00 -0.36 3.99 -1.32 -1.26 -4.98 115.64 114.96 1x5j s THR 67 Ca 0.23 -0.23 0.09 0.00 -1.21 0.00 0.00 61.69 60.57 1x5j s THR 67 Cb -0.15 -2.47 0.67 0.00 -1.51 0.00 0.00 72.50 69.04 1x5j s THR 67 CO 0.03 0.00 1.67 0.18 -2.21 0.00 0.00 174.62 174.29 1x5j n LEU 68 N -0.68 5.58 -3.88 9.08 4.77 -1.26 -4.84 117.00 125.76 1x5j n LEU 68 Ca -0.03 -2.89 -0.08 0.00 -0.03 0.00 0.00 56.01 52.98 1x5j n LEU 68 Cb 0.61 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1x5j n LEU 68 CO 0.14 0.73 0.42 -0.55 -1.33 0.00 0.00 177.39 176.81 1x5j s SER 69 N -0.80 -0.16 -0.30 -1.43 0.15 -1.26 -1.43 113.70 108.48 1x5j s SER 69 Ca 0.48 -0.77 -0.16 0.00 0.70 0.00 0.00 55.95 56.20 1x5j s SER 69 Cb 0.38 0.72 0.18 0.00 -1.71 0.00 0.00 66.02 65.60 1x5j s SER 69 CO 0.12 -1.37 1.15 -0.47 1.20 0.00 0.00 173.24 173.87 1x5j s TYR 70 N -3.66 -0.28 -0.23 3.44 6.14 0.10 -4.97 117.35 117.89 1x5j s TYR 70 Ca 0.14 0.55 -0.08 0.00 0.64 0.00 0.00 57.07 58.32 1x5j s TYR 70 Cb -0.05 0.17 -0.04 0.00 0.42 0.00 0.00 41.96 42.46 1x5j s TYR 70 CO 0.08 -0.14 0.10 -1.17 0.64 0.00 0.00 175.55 175.06 1x5j s LEU 71 N 1.33 3.72 -0.11 6.97 0.20 -1.26 0.37 118.68 129.88 1x5j s LEU 71 Ca -0.07 -0.06 -0.12 0.00 0.69 0.00 0.00 54.13 54.57 1x5j s LEU 71 Cb -0.03 -1.99 -0.05 0.00 -0.43 0.00 0.00 46.19 43.70 1x5j s LEU 71 CO -0.13 0.04 0.28 -0.69 -0.29 0.00 0.00 176.35 175.56 1x5j s VAL 72 N 1.20 5.29 0.06 1.68 1.01 -0.10 -4.96 120.40 124.57 1x5j s VAL 72 Ca 0.05 0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1x5j s VAL 72 Cb -0.14 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1x5j s VAL 72 CO 0.04 0.49 -0.06 0.42 0.00 0.00 0.00 175.10 175.98 1x5j s THR 73 N -0.23 0.52 0.00 3.92 -4.23 -1.26 -2.00 115.64 112.35 1x5j s THR 73 Ca 0.18 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1x5j s THR 73 Cb -0.14 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 72.67 1x5j s THR 73 CO 0.06 -0.63 0.00 0.61 -0.54 0.00 0.00 174.62 174.12 1x5j n GLY 74 N 0.82 1.07 3.87 3.99 0.00 -1.17 -5.03 105.19 108.74 1x5j n GLY 74 Ca -0.18 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.26 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 3.84 0.30 0.99 1.43 -1.26 -5.09 118.68 118.59 1x5j s LEU 75 Ca 0.00 -0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 52.56 1x5j s LEU 75 Cb 0.00 -2.42 -0.10 0.00 0.03 0.00 0.00 46.19 43.70 1x5j s LEU 75 CO 0.00 -0.18 0.93 -0.54 0.23 0.00 0.00 176.35 176.78 1x5j s LYS 76 N -3.95 4.60 0.45 1.70 1.02 -1.26 -4.40 119.74 117.91 1x5j s LYS 76 Ca 0.37 1.32 -0.23 0.00 0.02 0.00 0.00 55.97 57.45 1x5j s LYS 76 Cb -0.08 -2.88 -0.08 0.00 -0.52 0.00 0.00 37.83 34.28 1x5j s LYS 76 CO 0.27 0.33 1.17 -1.25 -0.92 0.00 0.00 175.35 174.94 1x5j s PRO 77 N -1.90 3.79 -1.44 -1.68 0.04 -1.26 -3.59 135.00 128.97 1x5j s PRO 77 Ca 0.48 1.79 -0.06 0.00 0.04 0.00 0.00 61.00 63.25 1x5j s PRO 77 Cb -0.20 -2.44 0.01 0.00 0.04 0.00 0.00 34.50 31.91 1x5j s PRO 77 CO 0.25 -0.52 0.26 -1.71 0.04 0.00 0.00 177.00 175.32 1x5j n ASN 78 N -0.41 -0.48 -3.88 6.66 2.85 -0.73 -4.89 115.26 114.38 1x5j n ASN 78 Ca 0.07 -1.19 -0.19 0.00 -0.11 0.00 0.00 54.58 53.16 1x5j n ASN 78 Cb 0.48 -2.13 -0.16 0.00 1.24 0.00 0.00 39.78 39.21 1x5j n ASN 78 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1x5j s THR 79 N -4.09 0.42 0.14 -0.44 2.01 -1.24 -4.97 115.64 107.47 1x5j s THR 79 Ca 0.10 -0.08 -0.31 0.00 0.31 0.00 0.00 61.69 61.71 1x5j s THR 79 Cb -0.05 -0.45 -0.10 0.00 0.01 0.00 0.00 72.50 71.91 1x5j s THR 79 CO 0.96 0.19 1.69 -0.22 -0.69 0.00 0.00 174.62 176.54 1x5j s LEU 80 N 0.81 4.38 0.08 4.42 1.98 -1.26 -4.14 118.68 124.94 1x5j s LEU 80 Ca -0.10 2.68 0.05 0.00 -2.89 0.00 0.00 54.13 53.87 1x5j s LEU 80 Cb -0.13 -3.58 -0.03 0.00 0.66 0.00 0.00 46.19 43.11 1x5j s LEU 80 CO -0.00 -0.92 -0.13 -0.31 -1.89 0.00 0.00 176.35 173.10 1x5j s TYR 81 N 1.89 1.16 0.07 5.38 2.02 -1.23 -2.82 117.35 123.82 1x5j s TYR 81 Ca 0.75 -0.50 0.02 0.00 -0.37 0.00 0.00 57.07 56.97 1x5j s TYR 81 Cb -0.45 -0.65 -0.04 0.00 -0.40 0.00 0.00 41.96 40.43 1x5j s TYR 81 CO 0.33 0.05 0.10 -1.21 -1.57 0.00 0.00 175.55 173.25 1x5j s GLU 82 N -1.98 3.00 -0.06 -0.62 8.01 -0.22 -3.12 118.70 123.70 1x5j s GLU 82 Ca -0.01 -0.63 -0.02 0.00 0.01 0.00 0.00 54.97 54.32 1x5j s GLU 82 Cb -0.08 -2.79 0.04 0.00 -4.31 0.00 0.00 34.13 26.98 1x5j s GLU 82 CO 0.02 0.58 0.11 -0.06 0.01 0.00 0.00 175.26 175.91 1x5j s PHE 83 N -1.40 -0.06 -0.05 1.61 0.08 -0.87 -3.68 117.98 113.61 1x5j s PHE 83 Ca 0.30 0.41 -0.10 0.00 0.12 0.00 0.00 56.93 57.65 1x5j s PHE 83 Cb -0.12 -0.31 0.02 0.00 -0.57 0.00 0.00 43.02 42.03 1x5j s PHE 83 CO 0.23 -0.21 0.25 -1.12 -0.10 0.00 0.00 175.22 174.27 1x5j s SER 84 N 1.95 -0.18 -0.01 1.36 0.01 -1.20 -0.13 113.70 115.49 1x5j s SER 84 Ca 0.01 0.24 0.07 0.00 1.31 0.00 0.00 55.95 57.58 1x5j s SER 84 Cb -0.12 0.40 -0.02 0.00 0.21 0.00 0.00 66.02 66.49 1x5j s SER 84 CO -0.04 -0.25 -0.23 -0.69 0.41 0.00 0.00 173.24 172.43 1x5j s VAL 85 N -0.62 1.82 0.03 3.43 1.01 -1.26 -2.00 120.40 122.81 1x5j s VAL 85 Ca -0.07 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1x5j s VAL 85 Cb -0.04 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1x5j s VAL 85 CO 0.02 0.49 -0.05 0.00 0.00 0.00 0.00 175.10 175.55 1x5j s MET 86 N -0.61 0.43 -0.10 2.72 0.23 -1.07 -3.27 119.30 117.63 1x5j s MET 86 Ca 0.09 -0.73 -0.01 0.00 -1.03 0.00 0.00 55.69 54.01 1x5j s MET 86 Cb -0.09 -0.06 -0.03 0.00 -1.53 0.00 0.00 34.83 33.12 1x5j s MET 86 CO -0.01 -0.01 -0.04 0.54 -2.03 0.00 0.00 175.02 173.47 1x5j s VAL 87 N -1.62 3.92 0.11 5.16 0.11 -1.26 -1.59 120.40 125.22 1x5j s VAL 87 Ca -0.11 -0.38 0.11 0.00 -2.93 0.00 0.00 61.98 58.66 1x5j s VAL 87 Cb -0.09 -2.65 -0.04 0.00 -1.53 0.00 0.00 36.38 32.07 1x5j s VAL 87 CO -0.01 0.57 -0.27 -0.89 -3.33 0.00 0.00 175.10 171.17 1x5j s THR 88 N -0.43 2.23 0.32 5.04 2.01 -1.17 -3.16 115.64 120.47 1x5j s THR 88 Ca 0.07 -1.67 -0.02 0.00 0.31 0.00 0.00 61.69 60.38 1x5j s THR 88 Cb -0.12 -1.96 -0.01 0.00 0.01 0.00 0.00 72.50 70.43 1x5j s THR 88 CO 0.02 0.16 0.43 -0.75 -0.69 0.00 0.00 174.62 173.79 1x5j s LYS 89 N -1.85 1.81 -0.99 4.92 2.20 -0.51 -3.93 119.74 121.39 1x5j s LYS 89 Ca 0.13 -1.73 -0.20 0.00 -0.36 0.00 0.00 55.97 53.81 1x5j s LYS 89 Cb -0.10 0.42 -0.27 0.00 -1.51 0.00 0.00 37.83 36.37 1x5j s LYS 89 CO 0.05 -0.73 2.40 0.41 -0.36 0.00 0.00 175.35 177.12 1x5j n GLY 90 N -0.53 -0.49 3.80 5.54 0.00 -1.26 0.61 105.19 112.87 1x5j n GLY 90 Ca 0.02 0.59 -0.26 0.00 0.00 0.00 0.00 46.02 46.37 1x5j n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x5j n ARG 91 N 6.97 -5.38 -3.87 1.61 0.63 -1.26 -4.98 116.66 110.38 1x5j n ARG 91 Ca 0.66 0.62 -0.11 0.00 -0.92 0.00 0.00 57.85 58.10 1x5j n ARG 91 Cb 0.08 -5.37 -0.09 0.00 0.45 0.00 0.00 32.46 27.53 1x5j n ARG 91 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1x5j s ARG 92 N -6.32 0.54 -0.13 -0.14 1.81 0.20 -5.17 118.95 109.75 1x5j s ARG 92 Ca 0.36 -0.46 -0.28 0.00 -1.72 0.00 0.00 55.73 53.63 1x5j s ARG 92 Cb -0.18 0.22 0.07 0.00 -0.45 0.00 0.00 34.95 34.61 1x5j s ARG 92 CO 0.82 -0.14 0.67 -1.54 -0.68 0.00 0.00 175.30 174.43 1x5j s SER 93 N -1.57 -0.67 0.35 0.23 1.04 -1.26 -1.43 113.70 110.39 1x5j s SER 93 Ca -0.12 0.95 0.08 0.00 0.48 0.00 0.00 55.95 57.34 1x5j s SER 93 Cb -0.06 0.85 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 1x5j s SER 93 CO 0.00 -0.47 0.14 -0.94 0.98 0.00 0.00 173.24 172.95 1x5j s SER 94 N -0.63 4.63 1.35 7.02 1.04 -1.19 -4.49 113.70 121.43 1x5j s SER 94 Ca -0.07 -0.82 -0.21 0.00 0.48 0.00 0.00 55.95 55.33 1x5j s SER 94 Cb -0.02 -0.69 0.34 0.00 0.10 0.00 0.00 66.02 65.75 1x5j s SER 94 CO 0.07 -0.33 0.98 0.28 0.98 0.00 0.00 173.24 175.22 1x5j s THR 95 N -2.45 1.38 -0.26 2.02 -1.32 -1.26 -4.74 115.64 109.00 1x5j s THR 95 Ca 0.38 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.65 1x5j s THR 95 Cb -0.02 -2.17 -0.01 0.00 -1.51 0.00 0.00 72.50 68.79 1x5j s THR 95 CO 0.23 0.00 0.66 0.26 -2.21 0.00 0.00 174.62 173.56 1x5j s TRP 96 N -2.46 3.27 1.17 9.09 0.52 -1.26 -4.58 118.94 124.69 1x5j s TRP 96 Ca 0.69 0.83 -0.17 0.00 0.02 0.00 0.00 56.10 57.46 1x5j s TRP 96 Cb -0.14 -2.91 0.19 0.00 -1.15 0.00 0.00 33.47 29.46 1x5j s TRP 96 CO 0.58 -0.37 0.37 -1.13 0.02 0.00 0.00 176.95 176.43 1x5j n SER 97 N 5.80 -2.47 -4.43 2.95 3.41 -1.20 -4.69 113.62 112.99 1x5j n SER 97 Ca 0.00 -0.25 -0.51 0.00 -0.26 0.00 0.00 58.87 57.86 1x5j n SER 97 Cb 0.49 -1.01 -0.08 0.00 -0.26 0.00 0.00 64.21 63.34 1x5j n SER 97 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1x5j n MET 98 N -3.18 0.86 -1.63 4.33 0.00 -1.26 -4.75 117.12 111.50 1x5j n MET 98 Ca 0.02 0.22 -0.43 0.00 0.00 0.00 0.00 57.70 57.52 1x5j n MET 98 Cb 0.57 -2.33 -0.03 0.00 0.00 0.00 0.00 33.22 31.44 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 7.17 0.58 -3.06 3.17 -1.04 -1.26 -4.85 114.28 114.99 1x5j n THR 99 Ca 0.44 -0.28 -0.41 0.00 -2.04 0.00 0.00 64.05 61.76 1x5j n THR 99 Cb 0.20 -2.42 -0.06 0.00 -1.82 0.00 0.00 70.33 66.23 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 6.20 3.61 -0.23 2.41 0.00 0.81 -4.86 121.76 129.71 1x5j s ALA 100 Ca 0.95 -0.34 -0.17 0.00 0.00 0.00 0.00 51.96 52.40 1x5j s ALA 100 Cb -0.40 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 1x5j s ALA 100 CO 0.39 -0.81 0.44 -1.01 0.00 0.00 0.00 175.76 174.78 1x5j s HIS 101 N 2.51 3.32 -0.11 0.00 3.76 -1.26 -2.04 115.29 121.47 1x5j s HIS 101 Ca 0.29 0.61 0.00 0.00 -0.15 0.00 0.00 55.06 55.81 1x5j s HIS 101 Cb -0.15 -2.61 0.02 0.00 1.11 0.00 0.00 32.58 30.95 1x5j s HIS 101 CO 0.08 -0.14 -0.10 0.20 -0.85 0.00 0.00 174.74 173.94 1x5j s GLY 102 N 1.30 0.86 -0.50 -2.22 0.00 -1.18 -4.96 107.32 100.62 1x5j s GLY 102 Ca 0.20 -0.57 -0.18 0.00 0.00 0.00 0.00 44.72 44.17 1x5j s GLY 102 CO 0.09 0.59 0.55 -1.59 0.00 0.00 0.00 173.10 172.74 1x5j s THR 103 N 1.41 4.99 0.96 0.90 2.01 -1.26 -3.57 115.64 121.08 1x5j s THR 103 Ca 0.00 -0.68 -0.11 0.00 0.31 0.00 0.00 61.69 61.20 1x5j s THR 103 Cb -0.13 -4.24 0.13 0.00 0.01 0.00 0.00 72.50 68.27 1x5j s THR 103 CO -0.06 -0.73 0.91 0.35 -0.69 0.00 0.00 174.62 174.40 1x5j n THR 104 N 5.48 0.00 -1.98 -0.82 -2.24 -1.26 -4.94 114.28 108.52 1x5j n THR 104 Ca -0.08 -0.10 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 1x5j n THR 104 Cb 0.45 -0.89 0.14 0.00 -2.10 0.00 0.00 70.33 67.93 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 -2.54 2.09 0.14 4.78 0.08 -1.26 -3.23 117.98 118.04 1x5j s PHE 105 Ca 0.64 0.42 -0.30 0.00 0.12 0.00 0.00 56.93 57.81 1x5j s PHE 105 Cb -0.22 -3.81 -0.07 0.00 -0.57 0.00 0.00 43.02 38.35 1x5j s PHE 105 CO 0.61 -2.25 1.06 -1.21 -0.10 0.00 0.00 175.22 173.33 1x5j s GLU 106 N -5.71 4.61 0.13 0.44 2.02 -1.26 -1.77 118.70 117.17 1x5j s GLU 106 Ca 0.69 1.63 -0.31 0.00 0.02 0.00 0.00 54.97 57.00 1x5j s GLU 106 Cb -0.07 -3.32 -0.10 0.00 0.10 0.00 0.00 34.13 30.75 1x5j s GLU 106 CO 0.51 0.09 1.70 -1.17 0.02 0.00 0.00 175.26 176.41 1x5j s LEU 107 N -0.09 4.38 0.00 1.80 0.20 -1.26 -4.81 118.68 118.90 1x5j s LEU 107 Ca 0.49 2.68 0.00 0.00 0.69 0.00 0.00 54.13 57.99 1x5j s LEU 107 Cb -0.27 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 41.91 1x5j s LEU 107 CO 0.33 -0.93 0.89 -1.20 -0.29 0.00 0.00 176.35 175.15 1x5j n SER 108 N 4.95 0.00 0.00 3.68 7.64 -1.26 -4.93 113.62 123.71 1x5j n SER 108 Ca 0.16 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1x5j n SER 108 Cb 0.38 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1x5j n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5j n GLY 109 N -0.98 2.68 0.00 0.23 0.00 -1.26 -4.97 105.19 100.88 1x5j n GLY 109 Ca 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.64 1x5j n GLY 109 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5j n PRO 110 N -0.66 0.49 -1.68 1.61 -0.04 -1.26 -4.86 135.00 128.60 1x5j n PRO 110 Ca 0.00 0.00 -0.65 0.00 -0.04 0.00 0.00 63.50 62.81 1x5j n PRO 110 Cb 0.00 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 31.93 1x5j n PRO 110 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x5j n SER 111 N -0.94 1.16 -0.06 3.54 3.41 -1.26 -4.84 113.62 114.63 1x5j n SER 111 Ca 0.10 1.14 -0.16 0.00 -0.26 0.00 0.00 58.87 59.70 1x5j n SER 111 Cb 0.05 -0.84 -0.14 0.00 -0.26 0.00 0.00 64.21 63.01 1x5j n SER 111 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x5j n SER 112 N 3.83 1.44 0.00 4.04 2.88 -1.26 -5.23 113.62 119.31 1x5j n SER 112 Ca 0.30 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1x5j n SER 112 Cb -0.06 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1x5j n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42