#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 5.35 0.10 1.61 0.01 -1.26 -5.05 113.70 114.46 1x5j s SER 2 Ca 0.00 -3.39 0.04 0.00 1.31 0.00 0.00 55.95 53.91 1x5j s SER 2 Cb 0.00 -1.81 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 1x5j s SER 2 CO 0.00 -0.23 -0.10 -0.55 0.41 0.00 0.00 173.24 172.77 1x5j s SER 3 N -0.13 1.50 0.00 2.44 0.15 -1.26 -4.94 113.70 111.47 1x5j s SER 3 Ca 0.22 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 56.03 1x5j s SER 3 Cb -0.13 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1x5j s SER 3 CO -0.09 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1x5j n GLY 4 N 0.45 3.16 4.02 9.45 0.00 -1.26 -5.13 105.19 115.88 1x5j n GLY 4 Ca -0.15 -0.46 -0.20 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 4.97 0.96 1.61 1.04 -1.26 -5.05 113.70 115.96 1x5j s SER 5 Ca 0.00 -0.59 -0.17 0.00 0.48 0.00 0.00 55.95 55.67 1x5j s SER 5 Cb 0.00 -0.00 -0.15 0.00 0.10 0.00 0.00 66.02 65.97 1x5j s SER 5 CO 0.00 -1.40 -0.76 -1.54 0.98 0.00 0.00 173.24 170.52 1x5j n SER 6 N -2.37 -5.82 0.00 7.02 3.41 -1.26 -4.88 113.62 109.72 1x5j n SER 6 Ca 0.14 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1x5j n SER 6 Cb 0.61 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1x5j n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5j n GLY 7 N 3.38 0.54 3.77 5.00 0.00 -1.26 -5.11 105.19 111.52 1x5j n GLY 7 Ca -0.02 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 1x5j n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5j s PRO 8 N -2.00 3.38 0.28 1.61 0.04 -1.26 -4.95 135.00 132.10 1x5j s PRO 8 Ca 0.00 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 1x5j s PRO 8 Cb 0.00 -2.03 -0.14 0.00 0.04 0.00 0.00 34.50 32.37 1x5j s PRO 8 CO 0.00 -0.83 1.06 -1.33 0.04 0.00 0.00 177.00 175.95 1x5j n MET 9 N -1.24 1.40 -3.73 4.56 2.81 -1.26 -4.96 117.12 114.70 1x5j n MET 9 Ca 0.11 0.49 -0.37 0.00 -1.81 0.00 0.00 57.70 56.13 1x5j n MET 9 Cb 0.51 -1.90 -0.06 0.00 -0.71 0.00 0.00 33.22 31.05 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 -1.37 3.69 0.76 0.03 -1.94 -1.26 -4.29 119.30 114.93 1x5j s MET 10 Ca 0.61 0.04 -0.11 0.00 -1.71 0.00 0.00 55.69 54.52 1x5j s MET 10 Cb -0.71 -3.23 0.05 0.00 2.01 0.00 0.00 34.83 32.95 1x5j s MET 10 CO 0.59 0.68 1.09 -1.25 -0.01 0.00 0.00 175.02 176.12 1x5j s PRO 11 N -0.83 2.29 1.23 2.03 0.04 -1.26 -4.54 135.00 133.97 1x5j s PRO 11 Ca 0.17 1.18 -0.21 0.00 0.04 0.00 0.00 61.00 62.19 1x5j s PRO 11 Cb -0.13 -1.90 0.31 0.00 0.04 0.00 0.00 34.50 32.81 1x5j s PRO 11 CO 0.06 -1.62 1.09 -0.35 0.04 0.00 0.00 177.00 176.23 1x5j n PRO 12 N -3.45 -3.17 -4.02 0.56 -0.04 -1.26 -4.53 135.00 119.10 1x5j n PRO 12 Ca 0.09 -1.75 -0.12 0.00 -0.04 0.00 0.00 63.50 61.68 1x5j n PRO 12 Cb 0.53 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 1x5j n PRO 12 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1x5j s VAL 13 N -2.98 0.00 -0.15 0.52 -7.23 -0.65 -4.70 120.40 105.21 1x5j s VAL 13 Ca 0.71 -1.45 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 1x5j s VAL 13 Cb -0.07 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.26 1x5j s VAL 13 CO 0.55 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.95 1x5j n GLY 14 N -0.52 0.29 3.68 2.32 0.00 -1.26 0.07 105.19 109.76 1x5j n GLY 14 Ca -0.01 -0.04 -0.47 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.36 0.39 -4.05 1.61 0.31 -1.25 -4.59 118.33 108.39 1x5j n VAL 15 Ca -0.01 -0.07 -0.08 0.00 -0.01 0.00 0.00 64.34 64.17 1x5j n VAL 15 Cb 0.35 -1.76 -0.10 0.00 -0.91 0.00 0.00 33.84 31.41 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 2.99 0.55 -0.24 5.55 0.74 -1.07 -4.79 119.66 123.39 1x5j s GLN 16 Ca 0.88 -1.06 0.02 0.00 0.05 0.00 0.00 55.36 55.25 1x5j s GLN 16 Cb -0.68 0.19 0.05 0.00 1.10 0.00 0.00 33.01 33.67 1x5j s GLN 16 CO 0.47 -0.10 -0.13 0.00 -0.55 0.00 0.00 175.29 174.98 1x5j s ALA 17 N -3.31 2.46 -0.40 1.58 0.00 -1.26 -3.43 121.76 117.41 1x5j s ALA 17 Ca 0.01 -1.58 -0.16 0.00 0.00 0.00 0.00 51.96 50.23 1x5j s ALA 17 Cb 0.03 -1.46 0.01 0.00 0.00 0.00 0.00 23.12 21.70 1x5j s ALA 17 CO -0.08 -0.96 0.39 0.45 0.00 0.00 0.00 175.76 175.57 1x5j s SER 18 N 1.18 6.18 -0.76 0.00 0.15 -0.44 -4.89 113.70 115.12 1x5j s SER 18 Ca -0.05 -0.59 -0.26 0.00 0.70 0.00 0.00 55.95 55.75 1x5j s SER 18 Cb -0.18 -2.21 -0.03 0.00 -1.71 0.00 0.00 66.02 61.89 1x5j s SER 18 CO -0.07 -0.50 1.90 -0.63 1.20 0.00 0.00 173.24 175.14 1x5j s ILE 19 N 2.03 3.40 -0.07 6.45 -1.09 -1.26 -1.07 121.20 129.59 1x5j s ILE 19 Ca 0.11 -0.08 -0.19 0.00 -2.23 0.00 0.00 60.65 58.25 1x5j s ILE 19 Cb -0.17 -3.98 -0.30 0.00 -1.58 0.00 0.00 42.46 36.43 1x5j s ILE 19 CO 0.13 -0.93 0.74 -0.07 -1.23 0.00 0.00 174.94 173.57 1x5j h LEU 20 N 17.13 0.44 -8.26 2.97 3.38 -1.76 -3.49 115.31 125.71 1x5j h LEU 20 Ca -0.08 -0.90 -0.14 0.00 0.09 0.00 0.00 57.88 56.85 1x5j h LEU 20 Cb 1.08 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 1x5j h LEU 20 CO 1.22 1.50 0.02 -0.44 0.09 0.00 0.00 178.44 180.83 1x5j s SER 21 N -7.02 0.40 0.28 -0.43 0.01 -0.48 -4.93 113.70 101.54 1x5j s SER 21 Ca -0.16 -1.26 0.01 0.00 1.31 0.00 0.00 55.95 55.85 1x5j s SER 21 Cb 0.03 0.74 0.58 0.00 0.21 0.00 0.00 66.02 67.57 1x5j s SER 21 CO 0.80 -1.44 1.79 1.12 0.41 0.00 0.00 173.24 175.92 1x5j h HIS 22 N 2.07 0.96 0.00 2.43 2.07 -1.95 -2.13 115.15 118.61 1x5j h HIS 22 Ca -0.29 0.03 -0.00 0.00 -2.85 0.00 0.00 60.37 57.26 1x5j h HIS 22 Cb 1.25 -0.29 -0.00 0.00 2.57 0.00 0.00 27.41 30.93 1x5j h HIS 22 CO 1.29 0.29 -0.31 -0.25 -3.07 0.00 0.00 177.93 175.88 1x5j n ASP 23 N -4.76 1.95 -4.00 3.10 9.92 -1.26 -4.15 116.55 117.35 1x5j n ASP 23 Ca 0.19 -3.56 -0.21 0.00 -0.53 0.00 0.00 54.79 50.68 1x5j n ASP 23 Cb 0.44 -0.49 -0.16 0.00 -0.64 0.00 0.00 41.12 40.27 1x5j n ASP 23 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1x5j s THR 24 N -3.06 0.81 -0.18 -3.53 2.01 -0.80 -2.65 115.64 108.23 1x5j s THR 24 Ca 0.35 -0.36 -0.13 0.00 0.31 0.00 0.00 61.69 61.86 1x5j s THR 24 Cb 0.33 -0.72 0.05 0.00 0.01 0.00 0.00 72.50 72.17 1x5j s THR 24 CO -0.03 0.26 0.46 -0.63 -0.69 0.00 0.00 174.62 173.99 1x5j s ILE 25 N 0.26 -0.01 -0.24 1.82 1.01 -1.14 -1.38 121.20 121.52 1x5j s ILE 25 Ca -0.04 0.04 -0.15 0.00 0.00 0.00 0.00 60.65 60.50 1x5j s ILE 25 Cb -0.09 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 1x5j s ILE 25 CO 0.01 0.02 0.37 -0.60 0.00 0.00 0.00 174.94 174.73 1x5j s ARG 26 N 0.87 4.09 -0.31 2.79 3.52 -0.23 -2.68 118.95 127.01 1x5j s ARG 26 Ca -0.05 0.09 -0.04 0.00 -0.13 0.00 0.00 55.73 55.60 1x5j s ARG 26 Cb -0.06 -3.60 0.04 0.00 -1.56 0.00 0.00 34.95 29.77 1x5j s ARG 26 CO -0.07 -0.16 0.03 0.42 -0.81 0.00 0.00 175.30 174.72 1x5j s ILE 27 N 1.69 3.34 -0.02 4.11 -1.09 0.17 -1.33 121.20 128.07 1x5j s ILE 27 Ca 0.16 -1.18 0.07 0.00 -2.23 0.00 0.00 60.65 57.47 1x5j s ILE 27 Cb -0.15 -2.86 -0.02 0.00 -1.58 0.00 0.00 42.46 37.85 1x5j s ILE 27 CO 0.09 -0.07 -0.22 0.42 -1.23 0.00 0.00 174.94 173.92 1x5j s THR 28 N 1.34 1.77 0.24 2.92 -4.23 -1.22 0.36 115.64 116.82 1x5j s THR 28 Ca -0.03 -0.95 -0.05 0.00 -1.18 0.00 0.00 61.69 59.49 1x5j s THR 28 Cb -0.19 -1.47 -0.02 0.00 1.34 0.00 0.00 72.50 72.16 1x5j s THR 28 CO 0.00 0.50 0.31 -1.66 -0.54 0.00 0.00 174.62 173.23 1x5j s TRP 29 N -0.46 0.90 0.33 3.99 -2.14 -1.02 -2.61 118.94 117.93 1x5j s TRP 29 Ca 0.07 -1.15 0.10 0.00 2.66 0.00 0.00 56.10 57.77 1x5j s TRP 29 Cb -0.09 -0.24 -0.06 0.00 -3.10 0.00 0.00 33.47 29.98 1x5j s TRP 29 CO -0.00 -0.85 -0.11 0.00 -2.66 0.00 0.00 176.95 173.33 1x5j s ALA 30 N -3.92 2.87 -0.12 2.67 0.00 0.11 -4.66 121.76 118.73 1x5j s ALA 30 Ca 0.32 -2.04 0.03 0.00 0.00 0.00 0.00 51.96 50.26 1x5j s ALA 30 Cb 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 1x5j s ALA 30 CO 0.13 0.10 -0.21 0.34 0.00 0.00 0.00 175.76 176.12 1x5j s ASP 31 N -3.58 3.30 -0.13 0.00 -1.08 -1.26 -1.64 116.67 112.28 1x5j s ASP 31 Ca 0.32 -0.52 0.16 0.00 -0.52 0.00 0.00 52.55 51.99 1x5j s ASP 31 Cb 0.01 -1.46 -0.24 0.00 -1.46 0.00 0.00 42.92 39.77 1x5j s ASP 31 CO 0.16 0.14 0.32 0.59 0.52 0.00 0.00 175.17 176.90 1x5j n ASN 32 N 3.65 0.34 -0.10 -0.34 3.02 -1.26 -4.37 115.26 116.20 1x5j n ASN 32 Ca -0.19 0.16 -0.06 0.00 -0.03 0.00 0.00 54.58 54.46 1x5j n ASN 32 Cb 0.53 0.61 0.01 0.00 -0.61 0.00 0.00 39.78 40.32 1x5j n ASN 32 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1x5j h SER 33 N 0.00 -0.12 -3.11 6.41 4.64 -1.88 -3.43 113.55 116.06 1x5j h SER 33 Ca -0.43 0.08 -0.57 0.00 -0.47 0.00 0.00 61.79 60.40 1x5j h SER 33 Cb 2.11 0.13 0.18 0.00 -0.31 0.00 0.00 62.40 64.52 1x5j h SER 33 CO 0.05 -0.02 -0.38 0.18 -0.87 0.00 0.00 176.83 175.78 1x5j n LEU 34 N -5.17 0.89 0.00 5.97 4.77 -1.26 -4.98 117.00 117.23 1x5j n LEU 34 Ca 0.01 0.66 -0.12 0.00 -0.03 0.00 0.00 56.01 56.53 1x5j n LEU 34 Cb 0.18 -1.20 0.10 0.00 -2.33 0.00 0.00 43.42 40.17 1x5j n LEU 34 CO 0.22 -3.05 0.25 -0.81 -1.33 0.00 0.00 177.39 172.67 1x5j n PRO 35 N -0.42 -1.91 -0.34 3.23 -0.04 -1.26 -4.80 135.00 129.46 1x5j n PRO 35 Ca 0.11 -0.72 0.30 0.00 -0.04 0.00 0.00 63.50 63.15 1x5j n PRO 35 Cb 0.49 -0.68 0.53 0.00 -0.04 0.00 0.00 33.50 33.80 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 -2.89 -0.04 -3.94 0.54 5.02 -1.26 -4.23 118.16 111.36 1x5j n LYS 36 Ca 0.06 1.05 -0.27 0.00 -2.02 0.00 0.00 58.31 57.14 1x5j n LYS 36 Cb 0.24 -2.01 -0.03 0.00 -0.02 0.00 0.00 35.03 33.21 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 -5.03 3.49 -0.52 2.13 -3.43 -1.26 -5.08 115.29 105.58 1x5j s HIS 37 Ca -0.06 0.13 -0.05 0.00 -0.80 0.00 0.00 55.06 54.28 1x5j s HIS 37 Cb 0.26 -1.68 0.14 0.00 -1.43 0.00 0.00 32.58 29.87 1x5j s HIS 37 CO 0.65 0.53 0.35 -0.65 -2.00 0.00 0.00 174.74 173.62 1x5j s GLN 38 N -3.13 2.41 -0.20 -0.38 1.11 -1.26 -4.83 119.66 113.37 1x5j s GLN 38 Ca 0.35 -2.09 -0.04 0.00 0.01 0.00 0.00 55.36 53.58 1x5j s GLN 38 Cb -0.11 -3.77 0.08 0.00 -1.01 0.00 0.00 33.01 28.20 1x5j s GLN 38 CO 0.28 -1.15 0.16 0.21 0.01 0.00 0.00 175.29 174.80 1x5j s LYS 39 N 0.73 0.14 -0.34 2.91 2.36 -1.26 -5.11 119.74 119.16 1x5j s LYS 39 Ca 0.11 0.03 -0.29 0.00 -2.55 0.00 0.00 55.97 53.27 1x5j s LYS 39 Cb -0.22 -1.46 0.01 0.00 -1.05 0.00 0.00 37.83 35.10 1x5j s LYS 39 CO -0.03 -0.69 1.32 0.42 1.55 0.00 0.00 175.35 177.91 1x5j s ILE 40 N 2.23 4.08 -0.04 5.43 1.01 -1.26 -4.89 121.20 127.76 1x5j s ILE 40 Ca 0.05 1.18 -0.01 0.00 0.00 0.00 0.00 60.65 61.88 1x5j s ILE 40 Cb -0.16 -4.19 -0.00 0.00 0.01 0.00 0.00 42.46 38.12 1x5j s ILE 40 CO -0.13 -0.58 2.16 0.35 0.00 0.00 0.00 174.94 176.75 1x5j n THR 41 N 6.48 2.19 -2.11 2.92 -2.24 -1.26 -4.74 114.28 115.51 1x5j n THR 41 Ca 0.15 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1x5j n THR 41 Cb 0.47 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 1x5j n THR 41 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1x5j n ASP 42 N 1.46 -0.78 -0.01 3.42 8.00 -1.26 -4.74 116.55 122.64 1x5j n ASP 42 Ca 0.08 0.39 -0.01 0.00 0.71 0.00 0.00 54.79 55.96 1x5j n ASP 42 Cb 0.55 -0.83 -0.00 0.00 -0.02 0.00 0.00 41.12 40.81 1x5j n ASP 42 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1x5j h SER 43 N 0.00 0.00 -3.97 -2.24 0.87 -1.98 -3.48 113.55 102.74 1x5j h SER 43 Ca 0.00 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 60.11 1x5j h SER 43 Cb 0.78 0.00 0.15 0.00 -0.44 0.00 0.00 62.40 62.89 1x5j h SER 43 CO 0.00 0.10 0.40 0.00 -0.53 0.00 0.00 176.83 176.80 1x5j s ARG 44 N -1.16 0.90 0.01 2.24 3.03 -1.26 -5.01 118.95 117.70 1x5j s ARG 44 Ca -0.02 -0.39 0.01 0.00 2.03 0.00 0.00 55.73 57.36 1x5j s ARG 44 Cb 0.00 -1.90 -0.01 0.00 -1.03 0.00 0.00 34.95 32.01 1x5j s ARG 44 CO 0.02 -2.23 -0.03 1.52 -1.13 0.00 0.00 175.30 173.45 1x5j s TYR 45 N -3.79 0.29 0.03 5.89 1.13 -1.24 -4.92 117.35 114.74 1x5j s TYR 45 Ca 0.72 -0.31 -0.00 0.00 -1.41 0.00 0.00 57.07 56.07 1x5j s TYR 45 Cb -0.05 -0.19 -0.04 0.00 -1.10 0.00 0.00 41.96 40.58 1x5j s TYR 45 CO 0.52 -0.09 0.16 0.71 -2.51 0.00 0.00 175.55 174.34 1x5j s TYR 46 N -0.83 3.44 -0.22 -3.49 2.02 -1.25 -2.82 117.35 114.20 1x5j s TYR 46 Ca -0.08 0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 56.86 1x5j s TYR 46 Cb -0.06 -1.75 0.06 0.00 -0.40 0.00 0.00 41.96 39.81 1x5j s TYR 46 CO -0.00 0.59 -0.00 0.99 -1.57 0.00 0.00 175.55 175.56 1x5j s THR 47 N -1.39 0.99 -0.23 -0.71 2.01 -0.34 -2.94 115.64 113.03 1x5j s THR 47 Ca 0.30 -0.90 -0.17 0.00 0.31 0.00 0.00 61.69 61.23 1x5j s THR 47 Cb -0.13 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 1x5j s THR 47 CO 0.22 -0.19 0.46 -0.69 -0.69 0.00 0.00 174.62 173.73 1x5j s VAL 48 N 1.64 5.13 -0.00 3.82 1.01 -1.24 -2.84 120.40 127.91 1x5j s VAL 48 Ca -0.03 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1x5j s VAL 48 Cb -0.18 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1x5j s VAL 48 CO -0.08 0.17 0.06 0.00 0.00 0.00 0.00 175.10 175.24 1x5j s ARG 49 N 1.84 2.99 -0.07 2.72 1.70 -0.90 -2.28 118.95 124.95 1x5j s ARG 49 Ca 0.20 -0.52 -0.21 0.00 -0.47 0.00 0.00 55.73 54.74 1x5j s ARG 49 Cb -0.15 -2.81 0.04 0.00 -0.57 0.00 0.00 34.95 31.46 1x5j s ARG 49 CO 0.09 0.64 0.48 1.67 -1.08 0.00 0.00 175.30 177.10 1x5j s TRP 50 N -1.16 -0.43 0.34 5.89 -2.14 -1.13 -2.27 118.94 118.03 1x5j s TRP 50 Ca 0.22 0.83 -0.09 0.00 2.66 0.00 0.00 56.10 59.72 1x5j s TRP 50 Cb -0.12 0.22 0.03 0.00 -3.10 0.00 0.00 33.47 30.50 1x5j s TRP 50 CO 0.13 -0.42 0.60 0.36 -2.66 0.00 0.00 176.95 174.95 1x5j n LYS 51 N 1.59 0.86 -3.62 3.25 -0.00 -1.24 -2.97 118.16 116.04 1x5j n LYS 51 Ca -0.19 -2.19 -0.37 0.00 -0.00 0.00 0.00 58.31 55.56 1x5j n LYS 51 Cb 0.56 2.45 -0.10 0.00 -0.00 0.00 0.00 35.03 37.95 1x5j n LYS 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1x5j s THR 52 N -2.43 5.33 0.54 0.58 -4.23 -1.26 -3.05 115.64 111.12 1x5j s THR 52 Ca 0.19 0.21 0.24 0.00 -1.18 0.00 0.00 61.69 61.15 1x5j s THR 52 Cb -0.03 -3.53 0.36 0.00 1.34 0.00 0.00 72.50 70.65 1x5j s THR 52 CO 0.14 0.30 2.04 -1.13 -0.54 0.00 0.00 174.62 175.43 1x5j h ASN 53 N 7.83 0.00 -3.39 3.99 -1.24 -1.86 -3.40 115.58 117.51 1x5j h ASN 53 Ca -0.37 0.00 -0.55 0.00 0.71 0.00 0.00 56.30 56.10 1x5j h ASN 53 Cb 1.18 0.00 -0.34 0.00 0.73 0.00 0.00 38.32 39.89 1x5j h ASN 53 CO 0.62 0.00 -0.83 -0.63 -1.29 0.00 0.00 177.43 175.30 1x5j s ILE 54 N -4.95 1.31 1.24 2.57 -1.09 -1.26 -3.30 121.20 115.72 1x5j s ILE 54 Ca -0.05 -0.57 -0.20 0.00 -2.23 0.00 0.00 60.65 57.59 1x5j s ILE 54 Cb 0.18 -1.18 0.30 0.00 -1.58 0.00 0.00 42.46 40.18 1x5j s ILE 54 CO 0.68 0.39 1.11 -2.16 -1.23 0.00 0.00 174.94 173.74 1x5j s PRO 55 N 0.66 -1.51 -0.02 2.79 0.04 -1.26 -5.09 135.00 130.62 1x5j s PRO 55 Ca -0.14 -0.16 -0.24 0.00 0.04 0.00 0.00 61.00 60.49 1x5j s PRO 55 Cb -0.16 -1.57 -0.18 0.00 0.04 0.00 0.00 34.50 32.63 1x5j s PRO 55 CO 0.04 -3.88 1.17 0.00 0.04 0.00 0.00 177.00 174.37 1x5j h ALA 56 N -2.70 -0.20 -1.40 8.56 0.00 -1.84 -3.40 119.26 118.28 1x5j h ALA 56 Ca -0.43 -0.21 -0.56 0.00 0.00 0.00 0.00 54.91 53.71 1x5j h ALA 56 Cb 1.29 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 19.06 1x5j h ALA 56 CO 0.30 -0.38 0.99 -0.80 0.00 0.00 0.00 179.25 179.36 1x5j s ASN 57 N -5.41 6.18 0.07 0.00 -0.87 -1.26 -4.97 114.94 108.69 1x5j s ASN 57 Ca -0.14 -0.60 -0.05 0.00 -1.57 0.00 0.00 52.86 50.50 1x5j s ASN 57 Cb 0.02 -2.54 -0.02 0.00 -0.02 0.00 0.00 41.25 38.69 1x5j s ASN 57 CO 0.58 -1.75 0.08 0.42 -2.57 0.00 0.00 177.10 173.86 1x5j s THR 58 N 5.40 0.18 0.61 1.60 -4.23 -1.26 -5.13 115.64 112.81 1x5j s THR 58 Ca 0.33 -1.49 -0.16 0.00 -1.18 0.00 0.00 61.69 59.19 1x5j s THR 58 Cb -0.09 -1.44 -0.02 0.00 1.34 0.00 0.00 72.50 72.28 1x5j s THR 58 CO 0.13 -0.81 1.09 -0.54 -0.54 0.00 0.00 174.62 173.95 1x5j s LYS 59 N -3.89 3.10 -0.11 3.99 -0.14 -1.26 -5.04 119.74 116.39 1x5j s LYS 59 Ca 0.06 1.34 -0.06 0.00 -1.36 0.00 0.00 55.97 55.96 1x5j s LYS 59 Cb 0.06 -1.99 -0.04 0.00 -1.68 0.00 0.00 37.83 34.18 1x5j s LYS 59 CO -0.10 -1.00 0.10 0.71 -0.76 0.00 0.00 175.35 174.30 1x5j s TYR 60 N -2.30 3.47 0.29 3.18 2.02 -1.26 -4.78 117.35 117.96 1x5j s TYR 60 Ca 0.66 0.43 0.08 0.00 -0.37 0.00 0.00 57.07 57.88 1x5j s TYR 60 Cb -0.19 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 1x5j s TYR 60 CO 0.37 0.66 0.15 0.15 -1.57 0.00 0.00 175.55 175.31 1x5j s LYS 61 N -0.99 2.62 -0.27 -0.62 1.02 -1.16 -5.01 119.74 115.33 1x5j s LYS 61 Ca 0.15 -1.28 -0.24 0.00 0.02 0.00 0.00 55.97 54.62 1x5j s LYS 61 Cb -0.12 -2.37 0.08 0.00 -0.52 0.00 0.00 37.83 34.90 1x5j s LYS 61 CO 0.04 0.29 0.77 0.54 -0.92 0.00 0.00 175.35 176.06 1x5j s ASN 62 N -3.82 -0.73 0.53 2.83 2.20 -1.26 -2.85 114.94 111.83 1x5j s ASN 62 Ca 0.35 1.36 0.00 0.00 -0.94 0.00 0.00 52.86 53.63 1x5j s ASN 62 Cb -0.06 1.37 0.00 0.00 -2.00 0.00 0.00 41.25 40.56 1x5j s ASN 62 CO 0.23 -0.23 0.02 0.00 -2.94 0.00 0.00 177.10 174.18 1x5j s ALA 63 N 0.54 4.28 -0.13 3.54 0.00 -0.96 -4.98 121.76 124.05 1x5j s ALA 63 Ca -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.83 1x5j s ALA 63 Cb -0.05 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1x5j s ALA 63 CO -0.03 -0.03 -0.09 0.54 0.00 0.00 0.00 175.76 176.15 1x5j s ASN 64 N -3.93 2.39 -0.27 0.00 4.22 -1.26 -3.73 114.94 112.37 1x5j s ASN 64 Ca 0.03 -0.39 -0.05 0.00 -2.14 0.00 0.00 52.86 50.30 1x5j s ASN 64 Cb 0.00 -0.95 0.14 0.00 1.28 0.00 0.00 41.25 41.72 1x5j s ASN 64 CO 0.02 -0.11 0.54 0.00 -2.04 0.00 0.00 177.10 175.51 1x5j s ALA 65 N 1.63 -1.75 -0.80 3.54 0.00 -1.15 -5.07 121.76 118.17 1x5j s ALA 65 Ca 0.05 1.77 -0.24 0.00 0.00 0.00 0.00 51.96 53.54 1x5j s ALA 65 Cb -0.13 -1.77 0.06 0.00 0.00 0.00 0.00 23.12 21.27 1x5j s ALA 65 CO -0.09 -1.06 1.22 0.95 0.00 0.00 0.00 175.76 176.77 1x5j s THR 66 N 2.76 4.03 -0.00 0.00 -4.23 -1.26 -3.75 115.64 113.19 1x5j s THR 66 Ca 0.06 -0.26 -0.30 0.00 -1.18 0.00 0.00 61.69 60.02 1x5j s THR 66 Cb -0.13 -4.87 0.11 0.00 1.34 0.00 0.00 72.50 68.95 1x5j s THR 66 CO -0.18 -1.73 1.27 0.28 -0.54 0.00 0.00 174.62 173.72 1x5j s THR 67 N 4.81 0.00 -0.52 3.99 -1.32 -1.26 -5.01 115.64 116.32 1x5j s THR 67 Ca 0.34 -0.24 0.09 0.00 -1.21 0.00 0.00 61.69 60.66 1x5j s THR 67 Cb -0.08 -2.19 0.52 0.00 -1.51 0.00 0.00 72.50 69.24 1x5j s THR 67 CO 0.06 0.00 1.29 0.18 -2.21 0.00 0.00 174.62 173.94 1x5j n LEU 68 N -0.57 4.01 0.00 9.08 4.77 -1.26 -4.86 117.00 128.16 1x5j n LEU 68 Ca -0.06 -2.03 -0.08 0.00 -0.03 0.00 0.00 56.01 53.81 1x5j n LEU 68 Cb 0.62 -0.62 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1x5j n LEU 68 CO 0.13 0.49 0.57 -0.24 -1.33 0.00 0.00 177.39 177.01 1x5j n SER 69 N 0.40 -2.20 -3.58 -1.43 2.88 -1.26 -2.42 113.62 106.00 1x5j n SER 69 Ca 0.18 -2.47 -0.12 0.00 -1.33 0.00 0.00 58.87 55.12 1x5j n SER 69 Cb 0.85 3.65 -0.06 0.00 -0.75 0.00 0.00 64.21 67.90 1x5j n SER 69 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1x5j s TYR 70 N -2.23 -0.51 -0.30 0.66 6.14 0.16 -4.97 117.35 116.30 1x5j s TYR 70 Ca 0.17 1.01 0.02 0.00 0.64 0.00 0.00 57.07 58.91 1x5j s TYR 70 Cb -0.05 0.40 0.07 0.00 0.42 0.00 0.00 41.96 42.81 1x5j s TYR 70 CO 0.11 -0.39 -0.02 -1.17 0.64 0.00 0.00 175.55 174.72 1x5j s LEU 71 N -0.67 4.03 -0.07 6.97 1.98 -1.26 -0.66 118.68 129.01 1x5j s LEU 71 Ca -0.03 -1.63 -0.27 0.00 -2.89 0.00 0.00 54.13 49.32 1x5j s LEU 71 Cb -0.02 -1.62 -0.03 0.00 0.66 0.00 0.00 46.19 45.18 1x5j s LEU 71 CO 0.02 -0.28 0.85 -0.69 -1.89 0.00 0.00 176.35 174.35 1x5j s VAL 72 N 1.08 4.93 0.02 1.68 1.01 -1.09 -5.00 120.40 123.03 1x5j s VAL 72 Ca -0.02 1.74 0.03 0.00 0.00 0.00 0.00 61.98 63.73 1x5j s VAL 72 Cb -0.20 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1x5j s VAL 72 CO -0.05 0.16 -0.09 0.42 0.00 0.00 0.00 175.10 175.54 1x5j s THR 73 N 1.24 0.66 0.00 3.92 -4.23 -1.26 -2.89 115.64 113.08 1x5j s THR 73 Ca 0.43 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 1x5j s THR 73 Cb -0.19 -0.63 0.00 0.00 1.34 0.00 0.00 72.50 73.02 1x5j s THR 73 CO 0.20 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1x5j n GLY 74 N 2.10 0.65 3.59 3.99 0.00 -1.09 -5.06 105.19 109.38 1x5j n GLY 74 Ca -0.18 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.60 0.00 -4.78 0.99 4.77 -1.26 -5.10 117.00 111.01 1x5j n LEU 75 Ca 0.00 -2.92 -0.36 0.00 -0.03 0.00 0.00 56.01 52.70 1x5j n LEU 75 Cb 0.25 0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.42 1x5j n LEU 75 CO 0.00 -0.51 -0.23 -0.54 -1.33 0.00 0.00 177.39 174.78 1x5j s LYS 76 N -3.97 3.32 0.90 3.23 3.01 -1.26 -4.63 119.74 120.34 1x5j s LYS 76 Ca 0.15 -0.26 -0.12 0.00 -1.01 0.00 0.00 55.97 54.74 1x5j s LYS 76 Cb -0.01 -3.04 0.13 0.00 -1.01 0.00 0.00 37.83 33.90 1x5j s LYS 76 CO 0.09 0.70 1.09 -1.25 0.51 0.00 0.00 175.35 176.50 1x5j s PRO 77 N -0.84 1.22 -1.22 -1.68 0.04 -1.26 -3.86 135.00 127.40 1x5j s PRO 77 Ca 0.13 0.80 -0.08 0.00 0.04 0.00 0.00 61.00 61.89 1x5j s PRO 77 Cb -0.12 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.63 1x5j s PRO 77 CO 0.03 -2.26 0.16 0.27 0.04 0.00 0.00 177.00 175.23 1x5j n ASN 78 N -3.89 -0.36 -3.85 6.66 0.23 -1.12 -4.91 115.26 108.02 1x5j n ASN 78 Ca 0.07 -1.08 -0.11 0.00 -0.53 0.00 0.00 54.58 52.92 1x5j n ASN 78 Cb 0.55 -1.33 -0.10 0.00 -2.08 0.00 0.00 39.78 36.83 1x5j n ASN 78 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1x5j s THR 79 N -4.06 0.08 -0.26 5.53 2.01 -1.25 -5.01 115.64 112.69 1x5j s THR 79 Ca 0.12 -0.65 -0.15 0.00 0.31 0.00 0.00 61.69 61.31 1x5j s THR 79 Cb -0.06 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 1x5j s THR 79 CO 0.83 -0.36 0.38 -0.22 -0.69 0.00 0.00 174.62 174.56 1x5j s LEU 80 N -1.38 4.06 0.16 4.42 2.96 -1.26 -3.34 118.68 124.30 1x5j s LEU 80 Ca -0.15 0.33 0.11 0.00 -0.22 0.00 0.00 54.13 54.21 1x5j s LEU 80 Cb -0.07 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 1x5j s LEU 80 CO 0.02 -0.16 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.35 1x5j s TYR 81 N 1.92 2.37 -0.09 5.38 1.51 -1.25 -2.40 117.35 124.80 1x5j s TYR 81 Ca 0.16 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 55.84 1x5j s TYR 81 Cb -0.16 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 1x5j s TYR 81 CO 0.09 0.42 0.06 -2.00 -1.11 0.00 0.00 175.55 173.02 1x5j s GLU 82 N -2.37 3.17 -0.08 -0.62 -6.30 -1.17 -3.44 118.70 107.89 1x5j s GLU 82 Ca 0.18 -0.30 -0.01 0.00 -2.50 0.00 0.00 54.97 52.34 1x5j s GLU 82 Cb -0.09 -2.96 0.03 0.00 0.00 0.00 0.00 34.13 31.11 1x5j s GLU 82 CO 0.09 0.73 -0.03 -0.06 0.02 0.00 0.00 175.26 176.01 1x5j s PHE 83 N -0.96 0.97 0.09 5.30 0.08 -0.98 -3.67 117.98 118.81 1x5j s PHE 83 Ca 0.15 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.86 1x5j s PHE 83 Cb -0.12 -0.95 -0.03 0.00 -0.57 0.00 0.00 43.02 41.35 1x5j s PHE 83 CO 0.04 -0.39 -0.11 -1.12 -0.10 0.00 0.00 175.22 173.54 1x5j s SER 84 N 1.80 1.49 -0.05 1.36 0.01 -0.96 -1.03 113.70 116.32 1x5j s SER 84 Ca 0.04 -0.77 0.02 0.00 1.31 0.00 0.00 55.95 56.55 1x5j s SER 84 Cb -0.13 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.12 1x5j s SER 84 CO -0.06 -0.22 -0.08 -0.69 0.41 0.00 0.00 173.24 172.60 1x5j s VAL 85 N -2.18 0.78 0.04 3.43 1.01 -1.26 -2.12 120.40 120.09 1x5j s VAL 85 Ca 0.04 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1x5j s VAL 85 Cb -0.05 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 1x5j s VAL 85 CO 0.01 0.27 -0.07 0.00 0.00 0.00 0.00 175.10 175.31 1x5j s MET 86 N 0.77 0.51 0.13 2.72 0.23 -1.13 -3.19 119.30 119.34 1x5j s MET 86 Ca -0.13 -0.69 0.09 0.00 -1.03 0.00 0.00 55.69 53.93 1x5j s MET 86 Cb -0.15 -0.29 -0.04 0.00 -1.53 0.00 0.00 34.83 32.82 1x5j s MET 86 CO 0.02 0.05 -0.17 0.54 -2.03 0.00 0.00 175.02 173.43 1x5j s VAL 87 N -1.25 2.88 -0.07 5.16 0.11 -1.26 -1.19 120.40 124.79 1x5j s VAL 87 Ca -0.09 -1.53 -0.01 0.00 -2.93 0.00 0.00 61.98 57.42 1x5j s VAL 87 Cb -0.09 -2.34 0.03 0.00 -1.53 0.00 0.00 36.38 32.45 1x5j s VAL 87 CO 0.00 0.07 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.94 1x5j s THR 88 N -1.23 0.43 0.48 5.04 2.01 -1.13 -0.66 115.64 120.59 1x5j s THR 88 Ca 0.19 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.32 1x5j s THR 88 Cb -0.10 -0.56 0.03 0.00 0.01 0.00 0.00 72.50 71.88 1x5j s THR 88 CO 0.11 0.26 0.54 -0.75 -0.69 0.00 0.00 174.62 174.09 1x5j s LYS 89 N 1.73 2.49 -0.56 4.92 2.20 -1.23 -3.63 119.74 125.66 1x5j s LYS 89 Ca 0.02 -1.58 -0.40 0.00 -0.36 0.00 0.00 55.97 53.65 1x5j s LYS 89 Cb -0.13 -2.49 -0.18 0.00 -1.51 0.00 0.00 37.83 33.52 1x5j s LYS 89 CO -0.04 -0.47 2.25 0.41 -0.36 0.00 0.00 175.35 177.14 1x5j n GLY 90 N -1.85 -0.10 3.81 5.54 0.00 -1.26 0.95 105.19 112.28 1x5j n GLY 90 Ca 0.07 1.09 -0.28 0.00 0.00 0.00 0.00 46.02 46.90 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 7.82 -6.12 -4.16 1.61 0.63 -1.26 -4.96 116.66 110.21 1x5j n ARG 91 Ca 0.54 0.66 -0.17 0.00 -0.92 0.00 0.00 57.85 57.97 1x5j n ARG 91 Cb 0.03 -5.57 -0.05 0.00 0.45 0.00 0.00 32.46 27.31 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 -6.47 1.91 -0.29 -0.14 1.81 0.27 -5.14 118.95 110.90 1x5j s ARG 92 Ca 0.58 -1.89 -0.23 0.00 -1.72 0.00 0.00 55.73 52.47 1x5j s ARG 92 Cb -0.28 0.41 0.17 0.00 -0.45 0.00 0.00 34.95 34.80 1x5j s ARG 92 CO 0.80 -0.77 1.26 -1.54 -0.68 0.00 0.00 175.30 174.37 1x5j s SER 93 N -3.30 -0.21 -0.10 0.23 1.04 -1.26 -3.51 113.70 106.58 1x5j s SER 93 Ca 0.34 0.39 -0.03 0.00 0.48 0.00 0.00 55.95 57.13 1x5j s SER 93 Cb 0.00 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 1x5j s SER 93 CO 0.24 -0.07 0.03 -0.94 0.98 0.00 0.00 173.24 173.49 1x5j s SER 94 N 0.37 5.48 1.12 7.02 1.04 0.16 -4.47 113.70 124.42 1x5j s SER 94 Ca 0.02 0.20 -0.17 0.00 0.48 0.00 0.00 55.95 56.48 1x5j s SER 94 Cb -0.04 -1.62 0.17 0.00 0.10 0.00 0.00 66.02 64.63 1x5j s SER 94 CO -0.12 0.37 0.25 1.07 0.98 0.00 0.00 173.24 175.79 1x5j n THR 95 N 2.19 0.00 -2.79 2.02 5.66 -1.26 -4.35 114.28 115.75 1x5j n THR 95 Ca -0.19 -0.17 -0.42 0.00 -3.05 0.00 0.00 64.05 60.23 1x5j n THR 95 Cb 0.54 -0.61 -0.03 0.00 -1.55 0.00 0.00 70.33 68.67 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 -2.16 3.54 0.97 1.09 0.52 -1.26 -4.59 118.94 117.04 1x5j s TRP 96 Ca 0.50 1.50 -0.12 0.00 0.02 0.00 0.00 56.10 57.99 1x5j s TRP 96 Cb -0.10 -3.08 0.17 0.00 -1.15 0.00 0.00 33.47 29.32 1x5j s TRP 96 CO 0.52 -0.13 1.08 -1.54 0.02 0.00 0.00 176.95 176.90 1x5j s SER 97 N 1.05 2.75 -0.37 2.95 1.04 -1.19 -4.83 113.70 115.10 1x5j s SER 97 Ca 0.45 1.53 -0.42 0.00 0.48 0.00 0.00 55.95 58.00 1x5j s SER 97 Cb -0.18 -2.20 -0.16 0.00 0.10 0.00 0.00 66.02 63.57 1x5j s SER 97 CO 0.19 -3.10 1.83 1.15 0.98 0.00 0.00 173.24 174.29 1x5j n MET 98 N -4.19 0.74 -1.69 4.02 0.00 -1.26 -4.70 117.12 110.04 1x5j n MET 98 Ca 0.06 0.26 -0.44 0.00 0.00 0.00 0.00 57.70 57.58 1x5j n MET 98 Cb 0.55 -1.94 -0.04 0.00 0.00 0.00 0.00 33.22 31.79 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 5.08 0.07 -3.48 3.17 -1.04 -1.26 -4.85 114.28 111.97 1x5j n THR 99 Ca 0.33 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.92 1x5j n THR 99 Cb 0.08 -1.80 -0.10 0.00 -1.82 0.00 0.00 70.33 66.69 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 1.36 3.50 -0.09 2.41 0.00 -0.20 -4.94 121.76 123.80 1x5j s ALA 100 Ca 0.78 -1.37 -0.18 0.00 0.00 0.00 0.00 51.96 51.20 1x5j s ALA 100 Cb -0.59 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1x5j s ALA 100 CO 0.36 -1.07 0.48 -1.01 0.00 0.00 0.00 175.76 174.52 1x5j s HIS 101 N 1.82 3.56 -0.21 0.00 3.76 -1.26 -2.33 115.29 120.63 1x5j s HIS 101 Ca 0.08 0.93 -0.06 0.00 -0.15 0.00 0.00 55.06 55.85 1x5j s HIS 101 Cb -0.17 -2.52 0.10 0.00 1.11 0.00 0.00 32.58 31.10 1x5j s HIS 101 CO 0.11 0.25 0.43 0.20 -0.85 0.00 0.00 174.74 174.88 1x5j s GLY 102 N 0.31 -0.41 -0.10 -2.22 0.00 -1.22 -4.77 107.32 98.92 1x5j s GLY 102 Ca 0.26 1.47 -0.16 0.00 0.00 0.00 0.00 44.72 46.28 1x5j s GLY 102 CO 0.11 2.52 0.42 -1.59 0.00 0.00 0.00 173.10 174.56 1x5j s THR 103 N 2.63 5.17 0.79 0.90 2.01 -1.26 -3.74 115.64 122.13 1x5j s THR 103 Ca 0.01 0.84 -0.12 0.00 0.31 0.00 0.00 61.69 62.74 1x5j s THR 103 Cb -0.13 -3.75 0.06 0.00 0.01 0.00 0.00 72.50 68.69 1x5j s THR 103 CO -0.14 0.40 1.10 0.42 -0.69 0.00 0.00 174.62 175.72 1x5j s THR 104 N 0.18 3.02 0.71 -0.82 -4.23 -1.21 -4.88 115.64 108.41 1x5j s THR 104 Ca 0.23 0.33 -0.12 0.00 -1.18 0.00 0.00 61.69 60.96 1x5j s THR 104 Cb -0.15 -3.14 0.02 0.00 1.34 0.00 0.00 72.50 70.57 1x5j s THR 104 CO 0.10 -0.43 1.08 -0.36 -0.54 0.00 0.00 174.62 174.46 1x5j s PHE 105 N -3.23 2.83 -0.22 3.99 0.08 -1.26 -3.65 117.98 116.52 1x5j s PHE 105 Ca 0.61 1.50 -0.29 0.00 0.12 0.00 0.00 56.93 58.87 1x5j s PHE 105 Cb -0.14 -3.00 -0.01 0.00 -0.57 0.00 0.00 43.02 39.31 1x5j s PHE 105 CO 0.53 -1.50 1.29 -1.21 -0.10 0.00 0.00 175.22 174.23 1x5j s GLU 106 N -4.76 4.09 0.09 0.44 2.02 -1.26 -2.78 118.70 116.54 1x5j s GLU 106 Ca 0.61 1.49 -0.27 0.00 0.02 0.00 0.00 54.97 56.83 1x5j s GLU 106 Cb -0.16 -3.82 -0.11 0.00 0.10 0.00 0.00 34.13 30.14 1x5j s GLU 106 CO 0.52 -0.89 1.43 1.25 0.02 0.00 0.00 175.26 177.58 1x5j h LEU 107 N 10.25 -1.29 0.00 1.80 7.12 -1.93 -3.33 115.31 127.93 1x5j h LEU 107 Ca -0.26 0.14 -0.11 0.00 0.13 0.00 0.00 57.88 57.78 1x5j h LEU 107 Cb 1.10 0.49 -0.02 0.00 -0.53 0.00 0.00 40.66 41.71 1x5j h LEU 107 CO 1.00 -0.41 -0.75 0.77 -0.13 0.00 0.00 178.44 178.92 1x5j h SER 108 N -0.52 0.00 0.00 1.25 4.64 -2.01 -3.51 113.55 113.39 1x5j h SER 108 Ca 0.01 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1x5j h SER 108 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1x5j h SER 108 CO -0.28 1.12 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 1x5j n GLY 109 N 1.54 -0.21 3.56 -0.77 0.00 -1.25 -4.87 105.19 103.19 1x5j n GLY 109 Ca -0.19 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.61 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 0.00 2.56 0.55 1.61 0.04 -1.26 -4.96 135.00 133.54 1x5j s PRO 110 Ca 0.00 -0.15 -0.09 0.00 0.04 0.00 0.00 61.00 60.80 1x5j s PRO 110 Cb 0.00 -4.96 0.13 0.00 0.04 0.00 0.00 34.50 29.71 1x5j s PRO 110 CO 0.00 -3.29 0.75 -1.13 0.04 0.00 0.00 177.00 173.38 1x5j n SER 111 N 13.81 0.08 -3.17 6.66 3.41 -1.26 -5.10 113.62 128.05 1x5j n SER 111 Ca 0.37 -1.28 0.03 0.00 -0.26 0.00 0.00 58.87 57.73 1x5j n SER 111 Cb 0.48 -0.57 -0.01 0.00 -0.26 0.00 0.00 64.21 63.84 1x5j n SER 111 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x5j s SER 112 N -3.75 -1.29 0.00 4.04 1.04 -1.26 -5.28 113.70 107.19 1x5j s SER 112 Ca 0.43 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.52 1x5j s SER 112 Cb -0.01 2.05 0.00 0.00 0.10 0.00 0.00 66.02 68.16 1x5j s SER 112 CO 0.30 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.86