#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 -0.36 0.09 1.61 0.15 -1.26 -5.06 113.70 108.86 1x5j s SER 2 Ca 0.00 -0.24 -0.20 0.00 0.70 0.00 0.00 55.95 56.21 1x5j s SER 2 Cb 0.00 0.55 -0.09 0.00 -1.71 0.00 0.00 66.02 64.77 1x5j s SER 2 CO 0.00 -0.95 1.58 -1.28 1.20 0.00 0.00 173.24 173.79 1x5j h SER 3 N 2.19 0.31 0.00 5.45 0.87 -2.15 -3.48 113.55 116.74 1x5j h SER 3 Ca -0.33 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 1x5j h SER 3 Cb 1.28 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1x5j h SER 3 CO 0.41 0.46 0.00 0.61 -0.53 0.00 0.00 176.83 177.78 1x5j n GLY 4 N -0.55 4.29 2.99 5.77 0.00 -1.26 -5.17 105.19 111.26 1x5j n GLY 4 Ca -0.04 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 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 0.27 1.00 1.61 1.04 -1.26 -5.16 113.70 111.20 1x5j s SER 5 Ca 0.00 -0.55 -0.14 0.00 0.48 0.00 0.00 55.95 55.73 1x5j s SER 5 Cb 0.00 0.11 0.19 0.00 0.10 0.00 0.00 66.02 66.42 1x5j s SER 5 CO 0.00 -0.33 1.14 -0.94 0.98 0.00 0.00 173.24 174.09 1x5j s SER 6 N -1.62 2.69 0.00 7.02 1.04 -1.26 -5.08 113.70 116.49 1x5j s SER 6 Ca -0.13 0.84 0.02 0.00 0.48 0.00 0.00 55.95 57.16 1x5j s SER 6 Cb -0.08 -1.30 -0.01 0.00 0.10 0.00 0.00 66.02 64.73 1x5j s SER 6 CO -0.02 -3.05 -0.06 -0.83 0.98 0.00 0.00 173.24 170.26 1x5j s GLY 7 N -3.99 0.31 0.00 7.32 0.00 -1.26 -5.16 107.32 104.54 1x5j s GLY 7 Ca 0.67 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.07 1x5j s GLY 7 CO 0.55 -0.29 0.00 -1.55 0.00 0.00 0.00 173.10 171.81 1x5j n PRO 8 N 2.73 -0.54 -0.99 2.90 -0.04 -1.26 -4.95 135.00 132.85 1x5j n PRO 8 Ca -0.14 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.96 1x5j n PRO 8 Cb 0.58 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.09 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 -1.15 -0.04 -3.87 0.54 2.81 -1.25 -4.94 117.12 109.22 1x5j n MET 9 Ca 0.00 -0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.53 1x5j n MET 9 Cb 0.00 -1.15 -0.06 0.00 -0.71 0.00 0.00 33.22 31.31 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 -2.19 3.46 0.90 0.03 0.23 -1.26 -4.39 119.30 116.07 1x5j s MET 10 Ca 0.44 -0.17 -0.12 0.00 -1.03 0.00 0.00 55.69 54.82 1x5j s MET 10 Cb -0.21 -3.16 0.13 0.00 -1.53 0.00 0.00 34.83 30.06 1x5j s MET 10 CO 0.79 0.74 1.09 -1.25 -2.03 0.00 0.00 175.02 174.36 1x5j s PRO 11 N -1.35 1.26 1.14 3.16 0.04 -1.26 -4.82 135.00 133.17 1x5j s PRO 11 Ca 0.20 0.81 -0.19 0.00 0.04 0.00 0.00 61.00 61.86 1x5j s PRO 11 Cb -0.12 -1.81 0.28 0.00 0.04 0.00 0.00 34.50 32.89 1x5j s PRO 11 CO 0.09 -2.24 1.01 -0.35 0.04 0.00 0.00 177.00 175.56 1x5j n PRO 12 N -3.88 -3.00 -4.03 0.56 -0.04 -1.26 -4.97 135.00 118.39 1x5j n PRO 12 Ca 0.07 -1.62 -0.18 0.00 -0.04 0.00 0.00 63.50 61.73 1x5j n PRO 12 Cb 0.55 -1.52 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 1x5j n PRO 12 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1x5j n VAL 13 N -4.69 0.00 -1.59 0.52 0.24 -0.69 -4.82 118.33 107.29 1x5j n VAL 13 Ca 0.14 -2.21 -0.19 0.00 -2.04 0.00 0.00 64.34 60.04 1x5j n VAL 13 Cb 0.55 1.11 -0.08 0.00 -1.47 0.00 0.00 33.84 33.95 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 -0.58 1.70 3.59 7.63 0.00 -1.26 -0.42 105.19 115.85 1x5j n GLY 14 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 3.21 0.17 1.61 1.01 -1.26 -4.27 120.40 118.25 1x5j s VAL 15 Ca 0.00 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.21 1x5j s VAL 15 Cb 0.00 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 1x5j s VAL 15 CO 0.00 -0.24 -0.06 -1.58 0.00 0.00 0.00 175.10 173.23 1x5j s GLN 16 N 6.45 1.12 -0.25 2.72 0.74 -1.19 -4.82 119.66 124.43 1x5j s GLN 16 Ca 0.90 -1.51 -0.02 0.00 0.05 0.00 0.00 55.36 54.78 1x5j s GLN 16 Cb -0.25 -0.54 0.08 0.00 1.10 0.00 0.00 33.01 33.40 1x5j s GLN 16 CO 0.32 -0.01 0.06 0.00 -0.55 0.00 0.00 175.29 175.11 1x5j s ALA 17 N -3.42 1.29 -0.37 1.58 0.00 -1.26 -3.57 121.76 116.01 1x5j s ALA 17 Ca 0.20 -1.17 -0.21 0.00 0.00 0.00 0.00 51.96 50.78 1x5j s ALA 17 Cb 0.04 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.78 1x5j s ALA 17 CO 0.03 -1.39 0.68 -1.12 0.00 0.00 0.00 175.76 173.95 1x5j s SER 18 N 1.73 6.45 -0.69 0.00 0.01 -0.85 -4.90 113.70 115.45 1x5j s SER 18 Ca 0.03 0.15 -0.26 0.00 1.31 0.00 0.00 55.95 57.18 1x5j s SER 18 Cb -0.17 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 1x5j s SER 18 CO -0.16 -0.66 1.81 -0.63 0.41 0.00 0.00 173.24 174.02 1x5j s ILE 19 N 2.84 3.42 -0.12 1.44 -1.09 -1.26 -1.80 121.20 124.63 1x5j s ILE 19 Ca 0.26 0.08 -0.13 0.00 -2.23 0.00 0.00 60.65 58.63 1x5j s ILE 19 Cb -0.14 -4.07 -0.26 0.00 -1.58 0.00 0.00 42.46 36.41 1x5j s ILE 19 CO 0.16 -1.03 0.46 -0.07 -1.23 0.00 0.00 174.94 173.23 1x5j h LEU 20 N 16.31 0.36 0.00 2.97 3.38 -1.84 -3.50 115.31 132.99 1x5j h LEU 20 Ca -0.18 -0.85 -0.23 0.00 0.09 0.00 0.00 57.88 56.71 1x5j h LEU 20 Cb 1.12 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 1x5j h LEU 20 CO 1.23 1.70 -0.19 -1.20 0.09 0.00 0.00 178.44 180.07 1x5j n SER 21 N -3.83 -0.63 0.11 -0.43 7.64 -0.70 -4.97 113.62 110.82 1x5j n SER 21 Ca -0.28 -2.24 -0.00 0.00 1.01 0.00 0.00 58.87 57.36 1x5j n SER 21 Cb 0.93 1.28 0.29 0.00 -1.01 0.00 0.00 64.21 65.70 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 0.23 0.00 1.43 2.07 -1.92 -3.18 115.15 115.41 1x5j h HIS 22 Ca -0.15 -0.05 -0.05 0.00 -2.85 0.00 0.00 60.37 57.27 1x5j h HIS 22 Cb 0.72 -0.06 -0.11 0.00 2.57 0.00 0.00 27.41 30.53 1x5j h HIS 22 CO 0.00 0.51 -0.58 -0.40 -3.07 0.00 0.00 177.93 174.39 1x5j n ASP 23 N -4.11 1.45 -3.83 3.10 5.75 -1.26 -4.19 116.55 113.46 1x5j n ASP 23 Ca -0.01 -3.07 -0.17 0.00 -0.01 0.00 0.00 54.79 51.53 1x5j n ASP 23 Cb 0.40 -0.42 -0.16 0.00 -1.03 0.00 0.00 41.12 39.92 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 -1.96 0.17 -0.10 2.12 2.01 -1.20 -2.88 115.64 113.79 1x5j s THR 24 Ca 0.33 0.07 -0.07 0.00 0.31 0.00 0.00 61.69 62.32 1x5j s THR 24 Cb 0.33 -0.25 0.04 0.00 0.01 0.00 0.00 72.50 72.62 1x5j s THR 24 CO -0.08 0.13 0.25 -0.63 -0.69 0.00 0.00 174.62 173.60 1x5j s ILE 25 N 0.90 -0.02 -0.40 1.82 1.01 -1.14 -1.72 121.20 121.65 1x5j s ILE 25 Ca -0.09 0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.43 1x5j s ILE 25 Cb -0.12 -0.37 0.01 0.00 0.01 0.00 0.00 42.46 41.99 1x5j s ILE 25 CO -0.02 0.03 0.63 -0.60 0.00 0.00 0.00 174.94 174.98 1x5j s ARG 26 N 0.70 3.45 -0.51 2.79 3.52 -0.75 -2.11 118.95 126.04 1x5j s ARG 26 Ca -0.05 -0.21 -0.09 0.00 -0.13 0.00 0.00 55.73 55.26 1x5j s ARG 26 Cb -0.06 -3.89 0.13 0.00 -1.56 0.00 0.00 34.95 29.57 1x5j s ARG 26 CO -0.04 -0.88 0.38 0.42 -0.81 0.00 0.00 175.30 174.37 1x5j s ILE 27 N 2.74 4.24 -0.04 4.11 -1.09 -0.15 -2.00 121.20 129.02 1x5j s ILE 27 Ca 0.23 -1.97 0.05 0.00 -2.23 0.00 0.00 60.65 56.73 1x5j s ILE 27 Cb -0.14 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 1x5j s ILE 27 CO 0.17 -0.80 -0.19 0.42 -1.23 0.00 0.00 174.94 173.31 1x5j s THR 28 N 1.12 2.69 0.25 2.92 -4.23 -1.23 -1.00 115.64 116.15 1x5j s THR 28 Ca 0.08 -0.87 0.04 0.00 -1.18 0.00 0.00 61.69 59.76 1x5j s THR 28 Cb -0.24 -2.01 -0.02 0.00 1.34 0.00 0.00 72.50 71.57 1x5j s THR 28 CO -0.02 0.59 0.15 -2.67 -0.54 0.00 0.00 174.62 172.13 1x5j n TRP 29 N 2.36 -0.26 -4.20 3.99 2.14 -1.16 -3.14 117.44 117.17 1x5j n TRP 29 Ca -0.17 -1.86 -0.12 0.00 2.07 0.00 0.00 57.50 57.43 1x5j n TRP 29 Cb 0.52 0.11 -0.10 0.00 -0.81 0.00 0.00 31.31 31.03 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 -2.85 1.11 -0.05 -1.67 0.00 0.44 -4.79 121.76 113.95 1x5j s ALA 30 Ca 0.21 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 50.66 1x5j s ALA 30 Cb 0.01 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.82 1x5j s ALA 30 CO 0.15 -0.39 -0.06 0.34 0.00 0.00 0.00 175.76 175.79 1x5j s ASP 31 N -3.11 1.12 -0.18 0.00 -1.08 -1.26 -1.71 116.67 110.44 1x5j s ASP 31 Ca 0.23 -0.17 0.10 0.00 -0.52 0.00 0.00 52.55 52.20 1x5j s ASP 31 Cb 0.07 -0.53 -0.23 0.00 -1.46 0.00 0.00 42.92 40.77 1x5j s ASP 31 CO 0.02 -0.03 0.11 -0.46 0.52 0.00 0.00 175.17 175.34 1x5j n ASN 32 N 3.94 0.89 -0.17 -0.34 0.23 -1.26 -4.45 115.26 114.09 1x5j n ASN 32 Ca -0.25 0.05 -0.04 0.00 -0.53 0.00 0.00 54.58 53.81 1x5j n ASN 32 Cb 0.51 0.26 0.02 0.00 -2.08 0.00 0.00 39.78 38.49 1x5j n ASN 32 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1x5j h SER 33 N 0.01 -0.91 -2.59 0.53 0.87 -1.96 -3.42 113.55 106.08 1x5j h SER 33 Ca -0.50 0.20 -0.57 0.00 -1.23 0.00 0.00 61.79 59.68 1x5j h SER 33 Cb 2.10 0.48 0.19 0.00 -0.44 0.00 0.00 62.40 64.73 1x5j h SER 33 CO 0.01 -0.27 -0.90 0.18 -0.53 0.00 0.00 176.83 175.32 1x5j n LEU 34 N -5.43 -1.84 0.00 2.23 4.77 -1.26 -4.96 117.00 110.51 1x5j n LEU 34 Ca 0.04 0.55 -0.24 0.00 -0.03 0.00 0.00 56.01 56.34 1x5j n LEU 34 Cb 0.34 -1.01 0.20 0.00 -2.33 0.00 0.00 43.42 40.61 1x5j n LEU 34 CO 0.05 -4.17 0.48 -0.81 -1.33 0.00 0.00 177.39 171.60 1x5j n PRO 35 N 0.60 -2.70 -0.10 3.23 -0.04 -1.26 -4.92 135.00 129.80 1x5j n PRO 35 Ca 0.07 -1.37 -0.03 0.00 -0.04 0.00 0.00 63.50 62.13 1x5j n PRO 35 Cb 0.50 -1.29 -0.02 0.00 -0.04 0.00 0.00 33.50 32.65 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 -4.14 -0.11 -2.21 0.54 5.02 -1.26 -4.27 118.16 111.74 1x5j n LYS 36 Ca 0.12 0.94 -0.41 0.00 -2.02 0.00 0.00 58.31 56.94 1x5j n LYS 36 Cb 0.46 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 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 -3.71 3.23 -1.31 2.13 -3.43 -1.26 -4.93 115.29 106.02 1x5j s HIS 37 Ca -0.03 1.30 -0.14 0.00 -0.80 0.00 0.00 55.06 55.39 1x5j s HIS 37 Cb 0.03 -3.60 0.11 0.00 -1.43 0.00 0.00 32.58 27.69 1x5j s HIS 37 CO 0.15 -1.78 1.80 1.04 -2.00 0.00 0.00 174.74 173.95 1x5j n GLN 38 N 2.08 3.24 -4.07 -0.38 1.13 -1.26 -4.93 117.38 113.20 1x5j n GLN 38 Ca 0.04 -3.32 -0.33 0.00 -1.94 0.00 0.00 57.00 51.44 1x5j n GLN 38 Cb 0.43 -3.23 -0.15 0.00 0.11 0.00 0.00 30.24 27.39 1x5j n GLN 38 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1x5j s LYS 39 N 2.61 3.06 -0.97 -1.09 2.47 -1.26 -5.06 119.74 119.50 1x5j s LYS 39 Ca 0.47 -0.80 -0.22 0.00 -1.56 0.00 0.00 55.97 53.87 1x5j s LYS 39 Cb 0.05 -2.69 0.08 0.00 -1.46 0.00 0.00 37.83 33.82 1x5j s LYS 39 CO 0.01 -0.22 1.32 0.42 0.16 0.00 0.00 175.35 177.04 1x5j s ILE 40 N 1.33 4.21 -0.29 5.43 1.01 -1.26 -4.75 121.20 126.88 1x5j s ILE 40 Ca 0.05 -1.00 0.17 0.00 0.00 0.00 0.00 60.65 59.87 1x5j s ILE 40 Cb -0.14 -4.95 0.48 0.00 0.01 0.00 0.00 42.46 37.87 1x5j s ILE 40 CO -0.10 -1.77 1.11 0.35 0.00 0.00 0.00 174.94 174.52 1x5j n THR 41 N 6.36 1.64 -1.41 2.92 -2.24 -1.26 -4.82 114.28 115.46 1x5j n THR 41 Ca 0.28 -3.41 -0.03 0.00 -2.27 0.00 0.00 64.05 58.62 1x5j n THR 41 Cb 0.50 0.41 0.20 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.55 2.56 -3.99 3.42 2.03 -1.26 -4.95 116.55 113.82 1x5j n ASP 42 Ca 0.19 -3.71 -0.35 0.00 0.52 0.00 0.00 54.79 51.44 1x5j n ASP 42 Cb 0.84 -0.62 -0.07 0.00 -0.72 0.00 0.00 41.12 40.55 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 -1.08 -1.44 -4.75 1.67 2.88 -1.26 -4.88 113.62 104.76 1x5j n SER 43 Ca 0.32 -1.02 -0.22 0.00 -1.33 0.00 0.00 58.87 56.61 1x5j n SER 43 Cb 1.01 -1.30 -0.06 0.00 -0.75 0.00 0.00 64.21 63.11 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 -6.10 2.61 0.03 -1.46 1.04 -1.26 -4.82 118.95 108.99 1x5j s ARG 44 Ca 0.67 -1.27 0.04 0.00 -1.04 0.00 0.00 55.73 54.13 1x5j s ARG 44 Cb -0.39 -2.36 -0.02 0.00 -2.04 0.00 0.00 34.95 30.14 1x5j s ARG 44 CO 0.84 0.32 -0.11 1.52 -0.04 0.00 0.00 175.30 177.83 1x5j s TYR 45 N -2.26 0.97 0.11 5.89 1.13 -1.24 -4.88 117.35 117.08 1x5j s TYR 45 Ca 0.34 -0.35 -0.07 0.00 -1.41 0.00 0.00 57.07 55.58 1x5j s TYR 45 Cb -0.06 -0.58 -0.06 0.00 -1.10 0.00 0.00 41.96 40.16 1x5j s TYR 45 CO 0.23 0.00 0.39 0.71 -2.51 0.00 0.00 175.55 174.37 1x5j s TYR 46 N -0.87 3.52 -0.33 -3.49 2.02 -1.25 -3.03 117.35 113.93 1x5j s TYR 46 Ca -0.01 0.68 -0.00 0.00 -0.37 0.00 0.00 57.07 57.36 1x5j s TYR 46 Cb -0.07 -2.09 0.11 0.00 -0.40 0.00 0.00 41.96 39.51 1x5j s TYR 46 CO 0.01 0.47 0.12 0.99 -1.57 0.00 0.00 175.55 175.56 1x5j s THR 47 N -1.54 0.91 -0.17 -0.71 2.01 -0.76 -3.30 115.64 112.08 1x5j s THR 47 Ca 0.37 -1.54 -0.17 0.00 0.31 0.00 0.00 61.69 60.67 1x5j s THR 47 Cb -0.13 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1x5j s THR 47 CO 0.21 -0.71 0.42 -0.69 -0.69 0.00 0.00 174.62 173.16 1x5j s VAL 48 N 1.46 5.20 0.26 3.82 1.01 -1.25 -2.90 120.40 128.00 1x5j s VAL 48 Ca 0.11 0.78 0.08 0.00 0.00 0.00 0.00 61.98 62.96 1x5j s VAL 48 Cb -0.18 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1x5j s VAL 48 CO -0.22 0.28 0.09 0.00 0.00 0.00 0.00 175.10 175.25 1x5j s ARG 49 N 1.07 2.58 -0.23 2.72 1.70 -0.74 -1.40 118.95 124.65 1x5j s ARG 49 Ca 0.21 -1.25 -0.26 0.00 -0.47 0.00 0.00 55.73 53.95 1x5j s ARG 49 Cb -0.15 -2.34 0.09 0.00 -0.57 0.00 0.00 34.95 31.98 1x5j s ARG 49 CO 0.08 0.38 0.83 1.67 -1.08 0.00 0.00 175.30 177.19 1x5j s TRP 50 N -2.23 -0.64 0.24 5.89 -2.14 -1.09 -2.86 118.94 116.11 1x5j s TRP 50 Ca 0.32 1.46 0.04 0.00 2.66 0.00 0.00 56.10 60.57 1x5j s TRP 50 Cb -0.07 0.34 -0.01 0.00 -3.10 0.00 0.00 33.47 30.62 1x5j s TRP 50 CO 0.22 -0.37 0.24 0.36 -2.66 0.00 0.00 176.95 174.74 1x5j n LYS 51 N 2.09 0.34 -3.99 3.25 2.85 -1.26 -3.05 118.16 118.40 1x5j n LYS 51 Ca -0.14 -2.24 -0.34 0.00 -1.05 0.00 0.00 58.31 54.54 1x5j n LYS 51 Cb 0.56 1.91 -0.15 0.00 -0.65 0.00 0.00 35.03 36.70 1x5j n LYS 51 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1x5j s THR 52 N -2.88 2.80 0.42 0.58 -4.23 -1.26 -2.60 115.64 108.47 1x5j s THR 52 Ca 0.26 -0.86 0.22 0.00 -1.18 0.00 0.00 61.69 60.13 1x5j s THR 52 Cb 0.01 -2.33 0.43 0.00 1.34 0.00 0.00 72.50 71.95 1x5j s THR 52 CO 0.18 0.34 1.74 -1.13 -0.54 0.00 0.00 174.62 175.22 1x5j h ASN 53 N 8.02 0.36 -3.19 3.99 -1.24 -1.75 -3.37 115.58 118.41 1x5j h ASN 53 Ca -0.38 0.09 -0.67 0.00 0.71 0.00 0.00 56.30 56.04 1x5j h ASN 53 Cb 1.13 0.04 -0.34 0.00 0.73 0.00 0.00 38.32 39.87 1x5j h ASN 53 CO 0.60 0.02 -0.87 -0.63 -1.29 0.00 0.00 177.43 175.26 1x5j s ILE 54 N -5.40 2.03 0.51 2.57 1.01 -1.26 -2.86 121.20 117.79 1x5j s ILE 54 Ca -0.08 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.53 1x5j s ILE 54 Cb 0.26 -1.80 0.13 0.00 0.01 0.00 0.00 42.46 41.06 1x5j s ILE 54 CO 0.80 0.54 0.45 -0.81 0.00 0.00 0.00 174.94 175.93 1x5j n PRO 55 N 4.14 -1.90 0.08 2.79 -0.04 -1.26 -5.05 135.00 133.77 1x5j n PRO 55 Ca -0.20 -0.72 -0.06 0.00 -0.04 0.00 0.00 63.50 62.48 1x5j n PRO 55 Cb 0.51 -0.67 -0.03 0.00 -0.04 0.00 0.00 33.50 33.27 1x5j n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5j h ALA 56 N -2.31 -0.31 -1.97 0.55 0.00 -1.79 -3.44 119.26 110.00 1x5j h ALA 56 Ca -0.17 -0.09 -0.57 0.00 0.00 0.00 0.00 54.91 54.08 1x5j h ALA 56 Cb 0.52 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1x5j h ALA 56 CO 0.11 -0.29 0.88 -0.80 0.00 0.00 0.00 179.25 179.14 1x5j s ASN 57 N -5.22 6.88 -0.29 0.00 -0.87 -1.26 -4.94 114.94 109.24 1x5j s ASN 57 Ca -0.06 1.15 -0.16 0.00 -1.57 0.00 0.00 52.86 52.23 1x5j s ASN 57 Cb 0.00 -2.54 0.12 0.00 -0.02 0.00 0.00 41.25 38.81 1x5j s ASN 57 CO 0.18 -0.91 0.83 -0.89 -2.57 0.00 0.00 177.10 173.74 1x5j s THR 58 N 3.78 -0.07 0.80 1.60 2.01 -1.26 -5.12 115.64 117.38 1x5j s THR 58 Ca 0.48 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.32 1x5j s THR 58 Cb -0.14 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.27 1x5j s THR 58 CO 0.17 0.00 -0.17 0.29 -0.69 0.00 0.00 174.62 174.22 1x5j n LYS 59 N 4.11 0.04 -3.74 4.92 4.76 -1.26 -4.94 118.16 122.05 1x5j n LYS 59 Ca -0.19 0.03 -0.37 0.00 -2.87 0.00 0.00 58.31 54.92 1x5j n LYS 59 Cb 0.58 -1.30 -0.06 0.00 -1.84 0.00 0.00 35.03 32.40 1x5j n LYS 59 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1x5j s TYR 60 N -2.02 3.58 0.35 2.13 2.02 -1.26 -4.89 117.35 117.26 1x5j s TYR 60 Ca 0.52 0.60 0.07 0.00 -0.37 0.00 0.00 57.07 57.90 1x5j s TYR 60 Cb -0.31 -2.10 -0.01 0.00 -0.40 0.00 0.00 41.96 39.15 1x5j s TYR 60 CO 0.71 0.59 0.47 0.15 -1.57 0.00 0.00 175.55 175.89 1x5j s LYS 61 N -0.63 3.03 0.22 -0.62 1.02 -1.17 -4.99 119.74 116.59 1x5j s LYS 61 Ca 0.16 -1.08 -0.22 0.00 0.02 0.00 0.00 55.97 54.84 1x5j s LYS 61 Cb -0.13 -2.77 0.05 0.00 -0.52 0.00 0.00 37.83 34.45 1x5j s LYS 61 CO 0.05 0.00 0.67 0.54 -0.92 0.00 0.00 175.35 175.69 1x5j s ASN 62 N -4.19 -0.41 0.25 2.83 2.20 -1.26 -2.66 114.94 111.70 1x5j s ASN 62 Ca 0.46 -0.30 0.05 0.00 -0.94 0.00 0.00 52.86 52.13 1x5j s ASN 62 Cb -0.09 0.66 -0.02 0.00 -2.00 0.00 0.00 41.25 39.80 1x5j s ASN 62 CO 0.31 -1.15 0.19 0.00 -2.94 0.00 0.00 177.10 173.51 1x5j n ALA 63 N -0.42 0.51 -3.64 3.54 0.00 -0.49 -4.97 120.51 115.04 1x5j n ALA 63 Ca -0.10 -1.43 -0.21 0.00 0.00 0.00 0.00 53.44 51.69 1x5j n ALA 63 Cb 0.62 1.13 -0.17 0.00 0.00 0.00 0.00 19.45 21.03 1x5j n ALA 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x5j s ASN 64 N -2.72 1.40 -0.30 0.00 2.20 -1.26 -3.90 114.94 110.37 1x5j s ASN 64 Ca 0.27 -0.07 -0.06 0.00 -0.94 0.00 0.00 52.86 52.05 1x5j s ASN 64 Cb 0.01 -0.06 0.16 0.00 -2.00 0.00 0.00 41.25 39.36 1x5j s ASN 64 CO 0.19 -0.28 0.65 0.00 -2.94 0.00 0.00 177.10 174.72 1x5j s ALA 65 N 2.19 -2.22 -0.80 3.54 0.00 -1.21 -5.04 121.76 118.22 1x5j s ALA 65 Ca 0.04 2.08 -0.24 0.00 0.00 0.00 0.00 51.96 53.84 1x5j s ALA 65 Cb -0.13 -2.00 0.06 0.00 0.00 0.00 0.00 23.12 21.05 1x5j s ALA 65 CO -0.06 -1.13 1.21 0.95 0.00 0.00 0.00 175.76 176.73 1x5j s THR 66 N 2.86 4.05 -0.01 0.00 -4.23 -1.26 -3.86 115.64 113.19 1x5j s THR 66 Ca 0.07 -0.29 -0.30 0.00 -1.18 0.00 0.00 61.69 59.98 1x5j s THR 66 Cb -0.13 -4.87 0.12 0.00 1.34 0.00 0.00 72.50 68.96 1x5j s THR 66 CO -0.20 -1.73 1.29 0.28 -0.54 0.00 0.00 174.62 173.72 1x5j s THR 67 N 4.75 0.00 -0.53 3.99 -1.32 -1.26 -5.01 115.64 116.26 1x5j s THR 67 Ca 0.34 -0.22 0.09 0.00 -1.21 0.00 0.00 61.69 60.68 1x5j s THR 67 Cb -0.08 -2.03 0.53 0.00 -1.51 0.00 0.00 72.50 69.41 1x5j s THR 67 CO 0.05 0.00 1.30 0.18 -2.21 0.00 0.00 174.62 173.95 1x5j n LEU 68 N -0.50 4.04 -3.48 9.08 4.77 -1.26 -4.90 117.00 124.76 1x5j n LEU 68 Ca -0.08 -2.05 -0.11 0.00 -0.03 0.00 0.00 56.01 53.74 1x5j n LEU 68 Cb 0.63 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1x5j n LEU 68 CO 0.12 0.49 0.43 -0.55 -1.33 0.00 0.00 177.39 176.55 1x5j s SER 69 N -0.50 -0.52 -0.29 -1.43 0.15 -1.26 -2.97 113.70 106.88 1x5j s SER 69 Ca 0.35 -0.07 -0.21 0.00 0.70 0.00 0.00 55.95 56.73 1x5j s SER 69 Cb 0.27 0.60 0.14 0.00 -1.71 0.00 0.00 66.02 65.31 1x5j s SER 69 CO 0.10 -0.99 1.02 -0.47 1.20 0.00 0.00 173.24 174.10 1x5j s TYR 70 N -3.72 -0.51 -0.40 3.44 5.04 -0.17 -4.99 117.35 116.04 1x5j s TYR 70 Ca 0.02 1.12 -0.12 0.00 -2.44 0.00 0.00 57.07 55.66 1x5j s TYR 70 Cb -0.02 0.36 0.04 0.00 0.35 0.00 0.00 41.96 42.70 1x5j s TYR 70 CO -0.10 -0.25 0.26 -0.51 -1.34 0.00 0.00 175.55 173.60 1x5j s LEU 71 N 0.78 4.98 -0.47 6.97 2.01 -1.26 -0.98 118.68 130.71 1x5j s LEU 71 Ca -0.03 -1.09 -0.29 0.00 0.01 0.00 0.00 54.13 52.73 1x5j s LEU 71 Cb -0.04 -2.07 0.03 0.00 0.01 0.00 0.00 46.19 44.12 1x5j s LEU 71 CO -0.11 -0.45 1.14 -0.69 1.01 0.00 0.00 176.35 177.24 1x5j s VAL 72 N 1.57 4.22 0.29 -1.59 1.01 -0.90 -4.93 120.40 120.09 1x5j s VAL 72 Ca 0.03 1.26 0.10 0.00 0.00 0.00 0.00 61.98 63.37 1x5j s VAL 72 Cb -0.20 -4.59 -0.05 0.00 0.00 0.00 0.00 36.38 31.54 1x5j s VAL 72 CO 0.07 -0.97 -0.02 0.42 0.00 0.00 0.00 175.10 174.60 1x5j s THR 73 N 4.41 3.04 0.00 3.92 -4.23 -1.26 -2.89 115.64 118.62 1x5j s THR 73 Ca 0.48 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 1x5j s THR 73 Cb -0.07 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.01 1x5j s THR 73 CO 0.31 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1x5j n GLY 74 N -0.89 0.49 3.44 3.99 0.00 -1.14 -5.04 105.19 106.04 1x5j n GLY 74 Ca -0.05 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.38 2.49 0.17 0.99 1.43 -1.26 -5.11 118.68 116.01 1x5j s LEU 75 Ca 0.00 -0.85 -0.26 0.00 -1.03 0.00 0.00 54.13 51.99 1x5j s LEU 75 Cb 0.00 -1.21 -0.08 0.00 0.03 0.00 0.00 46.19 44.93 1x5j s LEU 75 CO 0.00 0.12 0.79 -0.75 0.23 0.00 0.00 176.35 176.74 1x5j s LYS 76 N -2.72 4.59 0.47 1.70 2.20 -1.26 -4.36 119.74 120.36 1x5j s LYS 76 Ca 0.21 1.19 -0.23 0.00 -0.36 0.00 0.00 55.97 56.79 1x5j s LYS 76 Cb -0.08 -3.26 -0.07 0.00 -1.51 0.00 0.00 37.83 32.91 1x5j s LYS 76 CO 0.10 0.57 1.16 -1.25 -0.36 0.00 0.00 175.35 175.57 1x5j s PRO 77 N -1.16 3.72 -1.20 4.03 0.04 -1.26 -3.74 135.00 135.43 1x5j s PRO 77 Ca 0.36 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 63.11 1x5j s PRO 77 Cb -0.23 -2.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 1x5j s PRO 77 CO 0.27 -0.58 0.82 -1.71 0.04 0.00 0.00 177.00 175.84 1x5j n ASN 78 N -0.56 -3.19 -3.75 6.66 2.85 -1.13 -4.90 115.26 111.24 1x5j n ASN 78 Ca 0.08 -0.79 -0.13 0.00 -0.11 0.00 0.00 54.58 53.63 1x5j n ASN 78 Cb 0.48 -4.41 -0.11 0.00 1.24 0.00 0.00 39.78 36.98 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 -3.52 -0.00 -0.09 -0.44 2.01 -1.25 -5.03 115.64 107.31 1x5j s THR 79 Ca 0.18 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.90 1x5j s THR 79 Cb -0.04 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 71.95 1x5j s THR 79 CO 0.79 0.01 1.15 -0.22 -0.69 0.00 0.00 174.62 175.65 1x5j s LEU 80 N 0.36 4.24 0.19 4.42 1.98 -1.26 -3.87 118.68 124.75 1x5j s LEU 80 Ca -0.01 1.70 0.11 0.00 -2.89 0.00 0.00 54.13 53.04 1x5j s LEU 80 Cb -0.03 -3.55 -0.04 0.00 0.66 0.00 0.00 46.19 43.22 1x5j s LEU 80 CO -0.01 -0.58 -0.24 -0.31 -1.89 0.00 0.00 176.35 173.32 1x5j s TYR 81 N 2.40 2.29 0.20 5.38 2.02 -1.18 -1.91 117.35 126.55 1x5j s TYR 81 Ca 0.53 -0.36 0.06 0.00 -0.37 0.00 0.00 57.07 56.93 1x5j s TYR 81 Cb -0.22 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 1x5j s TYR 81 CO 0.19 0.50 0.17 -1.21 -1.57 0.00 0.00 175.55 173.62 1x5j s GLU 82 N -2.67 2.92 -0.15 -0.62 2.02 -1.07 -2.30 118.70 116.83 1x5j s GLU 82 Ca 0.21 -0.95 -0.06 0.00 0.02 0.00 0.00 54.97 54.18 1x5j s GLU 82 Cb -0.08 -2.61 0.07 0.00 0.10 0.00 0.00 34.13 31.60 1x5j s GLU 82 CO 0.10 0.45 0.33 -0.06 0.02 0.00 0.00 175.26 176.09 1x5j s PHE 83 N -1.93 -0.54 -0.10 1.61 0.08 -0.78 -4.06 117.98 112.26 1x5j s PHE 83 Ca 0.32 1.15 -0.06 0.00 0.12 0.00 0.00 56.93 58.46 1x5j s PHE 83 Cb -0.09 0.13 0.04 0.00 -0.57 0.00 0.00 43.02 42.53 1x5j s PHE 83 CO 0.24 -0.36 0.24 -1.12 -0.10 0.00 0.00 175.22 174.12 1x5j s SER 84 N 2.07 -0.26 -0.12 1.36 0.01 -1.13 -0.93 113.70 114.69 1x5j s SER 84 Ca -0.04 0.51 -0.01 0.00 1.31 0.00 0.00 55.95 57.73 1x5j s SER 84 Cb -0.11 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.53 1x5j s SER 84 CO -0.10 -0.14 -0.10 -0.69 0.41 0.00 0.00 173.24 172.61 1x5j s VAL 85 N 0.95 3.31 0.08 3.43 1.01 -1.26 -1.79 120.40 126.13 1x5j s VAL 85 Ca -0.07 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.39 1x5j s VAL 85 Cb -0.08 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1x5j s VAL 85 CO -0.06 0.53 -0.15 0.00 0.00 0.00 0.00 175.10 175.42 1x5j s MET 86 N 0.16 0.87 0.07 2.72 0.23 -1.14 -3.48 119.30 118.73 1x5j s MET 86 Ca -0.06 -1.01 0.05 0.00 -1.03 0.00 0.00 55.69 53.65 1x5j s MET 86 Cb -0.15 -0.89 -0.04 0.00 -1.53 0.00 0.00 34.83 32.23 1x5j s MET 86 CO 0.04 0.19 -0.05 0.54 -2.03 0.00 0.00 175.02 173.72 1x5j s VAL 87 N -1.37 3.73 0.02 5.16 0.11 -1.26 -1.84 120.40 124.95 1x5j s VAL 87 Ca 0.00 -1.02 0.04 0.00 -2.93 0.00 0.00 61.98 58.07 1x5j s VAL 87 Cb -0.09 -2.73 -0.02 0.00 -1.53 0.00 0.00 36.38 32.01 1x5j s VAL 87 CO 0.02 0.19 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.98 1x5j s THR 88 N -1.20 0.90 0.21 5.04 2.01 -1.17 -2.05 115.64 119.38 1x5j s THR 88 Ca 0.22 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.46 1x5j s THR 88 Cb -0.11 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 1x5j s THR 88 CO 0.14 0.04 0.08 -0.75 -0.69 0.00 0.00 174.62 173.44 1x5j s LYS 89 N -0.82 1.24 -0.81 4.92 2.20 -1.02 -3.64 119.74 121.80 1x5j s LYS 89 Ca 0.01 -1.64 -0.17 0.00 -0.36 0.00 0.00 55.97 53.81 1x5j s LYS 89 Cb -0.06 -0.08 -0.23 0.00 -1.51 0.00 0.00 37.83 35.95 1x5j s LYS 89 CO 0.00 -0.28 1.98 0.41 -0.36 0.00 0.00 175.35 177.11 1x5j n GLY 90 N -0.33 -0.40 3.28 5.54 0.00 -1.26 0.16 105.19 112.19 1x5j n GLY 90 Ca -0.02 0.49 -0.17 0.00 0.00 0.00 0.00 46.02 46.32 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 5.73 -6.39 -3.80 1.61 1.74 -1.26 -5.01 116.66 109.28 1x5j n ARG 91 Ca 0.54 0.78 -0.10 0.00 -0.77 0.00 0.00 57.85 58.31 1x5j n ARG 91 Cb 0.07 -5.61 -0.05 0.00 -1.02 0.00 0.00 32.46 25.85 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 -5.47 1.21 -0.07 5.56 0.52 0.43 -5.16 118.95 115.98 1x5j s ARG 92 Ca 0.12 -0.94 -0.30 0.00 -0.52 0.00 0.00 55.73 54.09 1x5j s ARG 92 Cb -0.05 0.45 0.09 0.00 0.52 0.00 0.00 34.95 35.96 1x5j s ARG 92 CO 0.67 -0.48 0.78 -1.54 0.02 0.00 0.00 175.30 174.75 1x5j s SER 93 N -2.89 -0.55 0.37 0.23 1.04 -1.26 -2.42 113.70 108.21 1x5j s SER 93 Ca 0.10 0.56 0.08 0.00 0.48 0.00 0.00 55.95 57.17 1x5j s SER 93 Cb 0.01 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1x5j s SER 93 CO -0.04 -0.55 0.19 -0.94 0.98 0.00 0.00 173.24 172.88 1x5j s SER 94 N -1.30 4.68 0.90 7.02 1.04 -0.87 -3.89 113.70 121.28 1x5j s SER 94 Ca -0.07 -0.84 -0.12 0.00 0.48 0.00 0.00 55.95 55.40 1x5j s SER 94 Cb -0.00 -0.65 0.13 0.00 0.10 0.00 0.00 66.02 65.60 1x5j s SER 94 CO 0.05 -0.41 1.12 0.28 0.98 0.00 0.00 173.24 175.26 1x5j s THR 95 N -2.48 2.33 -0.55 2.02 -1.32 -1.26 -4.73 115.64 109.66 1x5j s THR 95 Ca 0.40 0.11 -0.28 0.00 -1.21 0.00 0.00 61.69 60.71 1x5j s THR 95 Cb -0.01 -2.79 0.02 0.00 -1.51 0.00 0.00 72.50 68.21 1x5j s THR 95 CO 0.23 -0.14 1.35 0.26 -2.21 0.00 0.00 174.62 174.12 1x5j s TRP 96 N -3.16 2.38 1.03 9.09 0.23 -1.26 -4.58 118.94 122.68 1x5j s TRP 96 Ca 0.63 0.48 -0.21 0.00 -2.03 0.00 0.00 56.10 54.97 1x5j s TRP 96 Cb -0.16 -4.42 -0.06 0.00 0.03 0.00 0.00 33.47 28.86 1x5j s TRP 96 CO 0.55 -1.87 -0.69 -1.13 0.96 0.00 0.00 176.95 174.77 1x5j n SER 97 N 9.20 -3.19 -4.39 2.95 3.41 -1.23 -4.57 113.62 115.79 1x5j n SER 97 Ca 0.12 0.03 -0.56 0.00 -0.26 0.00 0.00 58.87 58.19 1x5j n SER 97 Cb 0.49 -0.78 -0.09 0.00 -0.26 0.00 0.00 64.21 63.57 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 0.50 0.54 -1.64 4.33 0.00 -1.26 -4.73 117.12 114.85 1x5j n MET 98 Ca -0.00 0.15 -0.40 0.00 0.00 0.00 0.00 57.70 57.45 1x5j n MET 98 Cb 0.66 -1.94 -0.03 0.00 0.00 0.00 0.00 33.22 31.90 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 6.20 3.06 -0.24 3.17 2.01 -1.26 -4.82 115.64 123.76 1x5j s THR 99 Ca 1.13 0.06 -0.22 0.00 0.31 0.00 0.00 61.69 62.97 1x5j s THR 99 Cb -1.20 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 1x5j s THR 99 CO 0.60 -0.08 0.71 0.00 -0.69 0.00 0.00 174.62 175.16 1x5j s ALA 100 N 9.60 3.62 -0.12 7.40 0.00 -0.10 -4.85 121.76 137.30 1x5j s ALA 100 Ca 0.96 -0.29 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 1x5j s ALA 100 Cb -0.26 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1x5j s ALA 100 CO 0.31 -0.83 0.42 -1.01 0.00 0.00 0.00 175.76 174.65 1x5j s HIS 101 N 2.59 3.51 -0.10 0.00 3.76 -1.26 -1.86 115.29 121.93 1x5j s HIS 101 Ca 0.30 0.81 -0.00 0.00 -0.15 0.00 0.00 55.06 56.02 1x5j s HIS 101 Cb -0.15 -2.48 0.02 0.00 1.11 0.00 0.00 32.58 31.08 1x5j s HIS 101 CO 0.08 0.22 -0.07 0.20 -0.85 0.00 0.00 174.74 174.32 1x5j s GLY 102 N 0.48 0.78 -0.38 -2.22 0.00 -0.97 -4.96 107.32 100.04 1x5j s GLY 102 Ca 0.23 -0.47 -0.18 0.00 0.00 0.00 0.00 44.72 44.30 1x5j s GLY 102 CO 0.09 0.76 0.48 -1.59 0.00 0.00 0.00 173.10 172.84 1x5j s THR 103 N 1.60 5.04 0.97 0.90 2.01 -1.26 -3.12 115.64 121.77 1x5j s THR 103 Ca 0.02 0.05 -0.12 0.00 0.31 0.00 0.00 61.69 61.96 1x5j s THR 103 Cb -0.13 -4.00 0.17 0.00 0.01 0.00 0.00 72.50 68.56 1x5j s THR 103 CO -0.06 -0.31 1.09 0.42 -0.69 0.00 0.00 174.62 175.06 1x5j s THR 104 N 2.32 2.33 0.73 -0.82 -4.23 -1.25 -4.95 115.64 109.76 1x5j s THR 104 Ca 0.16 0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 60.72 1x5j s THR 104 Cb -0.16 -2.52 0.09 0.00 1.34 0.00 0.00 72.50 71.25 1x5j s THR 104 CO 0.14 -0.14 1.03 -0.36 -0.54 0.00 0.00 174.62 174.75 1x5j s PHE 105 N -2.87 2.50 -0.06 3.99 0.08 -1.26 -3.84 117.98 116.53 1x5j s PHE 105 Ca 0.65 0.26 -0.28 0.00 0.12 0.00 0.00 56.93 57.68 1x5j s PHE 105 Cb -0.19 -3.25 -0.03 0.00 -0.57 0.00 0.00 43.02 38.98 1x5j s PHE 105 CO 0.58 -1.58 0.90 -1.21 -0.10 0.00 0.00 175.22 173.81 1x5j s GLU 106 N -5.27 4.47 0.06 0.44 8.01 -1.26 -2.82 118.70 122.32 1x5j s GLU 106 Ca 0.63 1.24 -0.28 0.00 0.01 0.00 0.00 54.97 56.56 1x5j s GLU 106 Cb -0.09 -3.49 -0.17 0.00 -4.31 0.00 0.00 34.13 26.07 1x5j s GLU 106 CO 0.45 -0.11 1.57 1.25 0.01 0.00 0.00 175.26 178.42 1x5j h LEU 107 N 7.24 -0.45 -9.24 1.80 6.46 -1.94 -3.42 115.31 115.76 1x5j h LEU 107 Ca -0.37 -0.03 -0.62 0.00 -0.12 0.00 0.00 57.88 56.73 1x5j h LEU 107 Cb 1.19 0.12 -0.13 0.00 -0.73 0.00 0.00 40.66 41.10 1x5j h LEU 107 CO 0.78 -0.25 -0.53 -0.55 -0.62 0.00 0.00 178.44 177.27 1x5j s SER 108 N -4.79 5.92 0.00 1.25 0.15 -1.26 -4.94 113.70 110.03 1x5j s SER 108 Ca -0.16 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1x5j s SER 108 Cb 0.04 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 1x5j s SER 108 CO 0.62 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.88 1x5j n GLY 109 N 3.27 -0.65 0.00 9.45 0.00 -1.26 -4.90 105.19 111.10 1x5j n GLY 109 Ca -0.17 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.28 0.03 -3.46 1.61 -0.04 -1.26 -4.24 135.00 125.36 1x5j n PRO 110 Ca 0.00 0.24 -0.43 0.00 -0.04 0.00 0.00 63.50 63.27 1x5j n PRO 110 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 1x5j n PRO 110 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5j s SER 111 N -2.94 6.41 -0.46 3.54 0.15 -1.26 -5.02 113.70 114.12 1x5j s SER 111 Ca 0.08 -3.02 -0.26 0.00 0.70 0.00 0.00 55.95 53.44 1x5j s SER 111 Cb 0.09 -2.09 -0.06 0.00 -1.71 0.00 0.00 66.02 62.25 1x5j s SER 111 CO 0.25 -0.42 2.30 -0.55 1.20 0.00 0.00 173.24 176.02 1x5j s SER 112 N 1.37 4.72 0.00 5.45 0.15 -1.26 -5.01 113.70 119.12 1x5j s SER 112 Ca 0.21 1.12 0.00 0.00 0.70 0.00 0.00 55.95 57.98 1x5j s SER 112 Cb -0.12 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1x5j s SER 112 CO -0.08 -2.66 0.00 0.61 1.20 0.00 0.00 173.24 172.31