#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 4.99 -0.23 1.61 0.15 -1.26 -5.07 113.70 113.89 1x5j s SER 2 Ca 0.00 -0.48 -0.18 0.00 0.70 0.00 0.00 55.95 55.99 1x5j s SER 2 Cb 0.00 -0.16 -0.15 0.00 -1.71 0.00 0.00 66.02 64.01 1x5j s SER 2 CO 0.00 -1.38 -0.05 -1.20 1.20 0.00 0.00 173.24 171.81 1x5j n SER 3 N -2.38 1.90 -0.29 5.45 7.64 -1.26 -5.07 113.62 119.61 1x5j n SER 3 Ca 0.13 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1x5j n SER 3 Cb 0.60 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1x5j n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5j n GLY 4 N 1.38 -0.02 3.68 0.23 0.00 -1.26 -4.84 105.19 104.36 1x5j n GLY 4 Ca -0.38 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 1x5j n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5j n SER 5 N -3.55 1.75 -5.02 1.61 3.41 -1.26 -5.13 113.62 105.43 1x5j n SER 5 Ca 0.00 -2.33 -0.20 0.00 -0.26 0.00 0.00 58.87 56.09 1x5j n SER 5 Cb 0.00 -0.47 0.05 0.00 -0.26 0.00 0.00 64.21 63.53 1x5j n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5j s SER 6 N -4.54 5.13 0.00 4.04 0.01 -1.26 -4.98 113.70 112.10 1x5j s SER 6 Ca 0.59 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1x5j s SER 6 Cb -0.04 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1x5j s SER 6 CO 0.38 -1.26 0.00 0.61 0.41 0.00 0.00 173.24 173.39 1x5j n GLY 7 N -2.16 -0.20 3.77 3.44 0.00 -1.26 -5.12 105.19 103.66 1x5j n GLY 7 Ca 0.13 0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 4.40 1.09 1.61 0.04 -1.26 -5.00 135.00 135.87 1x5j s PRO 8 Ca 0.00 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 62.91 1x5j s PRO 8 Cb 0.00 -3.05 0.12 0.00 0.04 0.00 0.00 34.50 31.62 1x5j s PRO 8 CO 0.00 -0.09 0.29 -1.33 0.04 0.00 0.00 177.00 175.91 1x5j n MET 9 N 0.80 -1.46 -3.55 4.56 2.81 -1.25 -4.87 117.12 114.18 1x5j n MET 9 Ca 0.00 -0.40 -0.36 0.00 -1.81 0.00 0.00 57.70 55.13 1x5j n MET 9 Cb 0.43 -1.83 -0.06 0.00 -0.71 0.00 0.00 33.22 31.06 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 -3.68 3.83 0.97 0.03 -1.94 -1.26 -4.08 119.30 113.17 1x5j s MET 10 Ca 0.59 0.28 -0.12 0.00 -1.71 0.00 0.00 55.69 54.73 1x5j s MET 10 Cb -0.16 -3.11 0.17 0.00 2.01 0.00 0.00 34.83 33.74 1x5j s MET 10 CO 0.66 0.63 1.09 -1.25 -0.01 0.00 0.00 175.02 176.14 1x5j s PRO 11 N -1.49 0.64 1.25 2.03 0.04 -1.26 -4.88 135.00 131.33 1x5j s PRO 11 Ca 0.28 0.60 -0.21 0.00 0.04 0.00 0.00 61.00 61.71 1x5j s PRO 11 Cb -0.15 -1.75 0.31 0.00 0.04 0.00 0.00 34.50 32.94 1x5j s PRO 11 CO 0.15 -2.61 1.11 -1.25 0.04 0.00 0.00 177.00 174.45 1x5j s PRO 12 N -4.95 -1.59 0.24 0.56 0.04 -1.26 -4.91 135.00 123.13 1x5j s PRO 12 Ca 0.65 -0.19 0.03 0.00 0.04 0.00 0.00 61.00 61.52 1x5j s PRO 12 Cb -0.18 -1.56 -0.01 0.00 0.04 0.00 0.00 34.50 32.78 1x5j s PRO 12 CO 0.57 -3.93 0.26 1.33 0.04 0.00 0.00 177.00 175.27 1x5j n VAL 13 N -4.89 0.00 -1.45 -0.36 0.24 0.69 -4.74 118.33 107.82 1x5j n VAL 13 Ca 0.15 -1.54 -0.16 0.00 -2.04 0.00 0.00 64.34 60.75 1x5j n VAL 13 Cb 0.60 0.83 -0.07 0.00 -1.47 0.00 0.00 33.84 33.73 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 -0.43 1.50 3.57 7.63 0.00 -1.26 -0.24 105.19 115.96 1x5j n GLY 14 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.22 0.21 -4.26 1.61 0.31 -1.26 -4.40 118.33 108.32 1x5j n VAL 15 Ca -0.16 -0.52 -0.14 0.00 -0.01 0.00 0.00 64.34 63.50 1x5j n VAL 15 Cb 0.61 -2.50 -0.10 0.00 -0.91 0.00 0.00 33.84 30.95 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 6.90 1.09 -0.25 5.55 0.74 -1.04 -4.71 119.66 127.95 1x5j s GLN 16 Ca 1.02 -1.48 0.02 0.00 0.05 0.00 0.00 55.36 54.97 1x5j s GLN 16 Cb -0.37 -0.59 0.06 0.00 1.10 0.00 0.00 33.01 33.21 1x5j s GLN 16 CO 0.35 0.04 -0.07 0.00 -0.55 0.00 0.00 175.29 175.05 1x5j s ALA 17 N -3.36 2.24 -0.64 1.58 0.00 -1.26 -2.89 121.76 117.44 1x5j s ALA 17 Ca 0.18 -1.56 -0.23 0.00 0.00 0.00 0.00 51.96 50.35 1x5j s ALA 17 Cb 0.03 -1.51 0.06 0.00 0.00 0.00 0.00 23.12 21.70 1x5j s ALA 17 CO 0.01 -1.21 0.97 0.45 0.00 0.00 0.00 175.76 175.99 1x5j s SER 18 N 1.26 6.21 -0.41 0.00 0.15 0.49 -4.85 113.70 116.54 1x5j s SER 18 Ca -0.07 -0.81 -0.27 0.00 0.70 0.00 0.00 55.95 55.50 1x5j s SER 18 Cb -0.19 -2.43 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 1x5j s SER 18 CO -0.06 -1.41 2.15 -0.63 1.20 0.00 0.00 173.24 174.49 1x5j s ILE 19 N 4.13 3.16 -0.18 6.45 -1.09 -1.26 -1.60 121.20 130.80 1x5j s ILE 19 Ca 0.25 0.13 -0.05 0.00 -2.23 0.00 0.00 60.65 58.75 1x5j s ILE 19 Cb -0.15 -3.30 -0.22 0.00 -1.58 0.00 0.00 42.46 37.21 1x5j s ILE 19 CO 0.12 -0.25 0.12 0.18 -1.23 0.00 0.00 174.94 173.89 1x5j n LEU 20 N 13.20 2.68 0.00 2.97 4.77 -0.58 -5.01 117.00 135.03 1x5j n LEU 20 Ca 0.29 0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 56.27 1x5j n LEU 20 Cb 0.50 -1.03 -0.01 0.00 -2.33 0.00 0.00 43.42 40.56 1x5j n LEU 20 CO 0.69 0.84 0.25 -1.20 -1.33 0.00 0.00 177.39 176.64 1x5j n SER 21 N -3.50 -1.46 0.25 -1.43 7.64 -0.84 -4.95 113.62 109.34 1x5j n SER 21 Ca -0.38 -2.57 0.08 0.00 1.01 0.00 0.00 58.87 57.02 1x5j n SER 21 Cb 1.00 2.60 0.63 0.00 -1.01 0.00 0.00 64.21 67.43 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 1.88 0.00 -0.17 1.43 2.07 -1.94 -2.83 115.15 115.59 1x5j h HIS 22 Ca -0.26 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.09 1x5j h HIS 22 Cb 1.05 0.00 -0.25 0.00 2.57 0.00 0.00 27.41 30.79 1x5j h HIS 22 CO 0.00 0.06 -0.81 -0.25 -3.07 0.00 0.00 177.93 173.86 1x5j n ASP 23 N -4.39 1.95 -3.72 3.10 8.00 -1.26 -4.11 116.55 116.13 1x5j n ASP 23 Ca -0.03 -3.01 -0.17 0.00 0.71 0.00 0.00 54.79 52.29 1x5j n ASP 23 Cb 0.14 -0.42 -0.17 0.00 -0.02 0.00 0.00 41.12 40.66 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 -2.46 -0.10 -0.08 -3.53 2.01 -1.07 -3.27 115.64 107.14 1x5j s THR 24 Ca 0.37 0.31 -0.04 0.00 0.31 0.00 0.00 61.69 62.65 1x5j s THR 24 Cb 0.38 -0.15 0.04 0.00 0.01 0.00 0.00 72.50 72.78 1x5j s THR 24 CO -0.08 0.13 0.18 -0.63 -0.69 0.00 0.00 174.62 173.52 1x5j s ILE 25 N 1.64 -0.12 -0.28 1.82 1.01 -0.92 -1.53 121.20 122.81 1x5j s ILE 25 Ca -0.02 0.22 -0.18 0.00 0.00 0.00 0.00 60.65 60.67 1x5j s ILE 25 Cb -0.12 -0.29 -0.02 0.00 0.01 0.00 0.00 42.46 42.03 1x5j s ILE 25 CO -0.04 0.09 0.53 -0.60 0.00 0.00 0.00 174.94 174.93 1x5j s ARG 26 N 1.54 3.99 -0.56 2.79 3.52 -0.63 -0.71 118.95 128.89 1x5j s ARG 26 Ca -0.06 0.26 -0.11 0.00 -0.13 0.00 0.00 55.73 55.69 1x5j s ARG 26 Cb -0.11 -3.68 0.14 0.00 -1.56 0.00 0.00 34.95 29.73 1x5j s ARG 26 CO -0.07 -0.42 0.46 0.42 -0.81 0.00 0.00 175.30 174.88 1x5j s ILE 27 N 2.36 4.62 -0.11 4.11 -1.09 -0.09 -0.38 121.20 130.62 1x5j s ILE 27 Ca 0.21 -1.96 -0.03 0.00 -2.23 0.00 0.00 60.65 56.65 1x5j s ILE 27 Cb -0.15 -3.98 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 1x5j s ILE 27 CO 0.10 -0.85 -0.00 0.42 -1.23 0.00 0.00 174.94 173.38 1x5j s THR 28 N 1.07 4.27 0.34 2.92 -4.23 -1.14 -0.77 115.64 118.09 1x5j s THR 28 Ca 0.08 -0.25 0.07 0.00 -1.18 0.00 0.00 61.69 60.41 1x5j s THR 28 Cb -0.24 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 70.75 1x5j s THR 28 CO -0.02 0.57 0.25 -1.66 -0.54 0.00 0.00 174.62 173.22 1x5j s TRP 29 N -0.49 1.75 0.02 3.99 -2.14 -1.05 -2.49 118.94 118.53 1x5j s TRP 29 Ca 0.09 -1.61 0.01 0.00 2.66 0.00 0.00 56.10 57.25 1x5j s TRP 29 Cb -0.12 -0.78 -0.01 0.00 -3.10 0.00 0.00 33.47 29.46 1x5j s TRP 29 CO 0.02 -0.78 -0.05 0.00 -2.66 0.00 0.00 176.95 173.48 1x5j s ALA 30 N -3.43 0.33 -0.81 2.67 0.00 0.67 -4.75 121.76 116.45 1x5j s ALA 30 Ca 0.38 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.92 1x5j s ALA 30 Cb 0.02 0.02 0.20 0.00 0.00 0.00 0.00 23.12 23.36 1x5j s ALA 30 CO 0.25 -0.01 0.67 -3.47 0.00 0.00 0.00 175.76 173.20 1x5j n ASP 31 N 2.20 3.72 -0.23 0.00 2.03 -1.26 -0.22 116.55 122.79 1x5j n ASP 31 Ca -0.18 -3.19 0.32 0.00 0.52 0.00 0.00 54.79 52.25 1x5j n ASP 31 Cb 0.57 -0.91 0.69 0.00 -0.72 0.00 0.00 41.12 40.75 1x5j n ASP 31 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1x5j h ASN 32 N 5.60 0.00 -0.40 1.67 2.35 -1.96 0.86 115.58 123.71 1x5j h ASN 32 Ca 0.16 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.98 1x5j h ASN 32 Cb 0.77 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.08 1x5j h ASN 32 CO 0.81 0.00 -0.01 -1.28 -1.65 0.00 0.00 177.43 175.29 1x5j h SER 33 N 0.00 -0.19 -2.67 5.81 0.87 -1.93 -3.43 113.55 112.02 1x5j h SER 33 Ca 0.49 0.10 -0.59 0.00 -1.23 0.00 0.00 61.79 60.55 1x5j h SER 33 Cb 2.23 0.17 0.16 0.00 -0.44 0.00 0.00 62.40 64.52 1x5j h SER 33 CO -0.01 -0.06 -0.38 0.18 -0.53 0.00 0.00 176.83 176.04 1x5j n LEU 34 N -5.21 0.39 0.00 2.23 4.77 0.29 -4.97 117.00 114.51 1x5j n LEU 34 Ca 0.03 0.83 -0.04 0.00 -0.03 0.00 0.00 56.01 56.79 1x5j n LEU 34 Cb 0.21 -1.15 0.03 0.00 -2.33 0.00 0.00 43.42 40.19 1x5j n LEU 34 CO 0.19 -2.93 0.08 -0.81 -1.33 0.00 0.00 177.39 172.59 1x5j n PRO 35 N 0.31 -1.32 -0.34 3.23 -0.04 -1.26 -4.88 135.00 130.70 1x5j n PRO 35 Ca 0.11 -0.24 -0.05 0.00 -0.04 0.00 0.00 63.50 63.28 1x5j n PRO 35 Cb 0.43 -0.23 -0.03 0.00 -0.04 0.00 0.00 33.50 33.64 1x5j n PRO 35 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1x5j n LYS 36 N -1.98 -0.29 -2.56 0.54 4.81 -1.26 -4.28 118.16 113.15 1x5j n LYS 36 Ca 0.02 1.28 -0.38 0.00 -0.87 0.00 0.00 58.31 58.35 1x5j n LYS 36 Cb 0.08 -1.89 -0.05 0.00 0.02 0.00 0.00 35.03 33.20 1x5j n LYS 36 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 1x5j s HIS 37 N -5.60 3.51 -0.99 5.64 -3.43 -1.26 -4.98 115.29 108.17 1x5j s HIS 37 Ca -0.11 1.71 -0.02 0.00 -0.80 0.00 0.00 55.06 55.85 1x5j s HIS 37 Cb 0.13 -3.16 0.31 0.00 -1.43 0.00 0.00 32.58 28.43 1x5j s HIS 37 CO 0.56 -0.40 1.47 0.94 -2.00 0.00 0.00 174.74 175.30 1x5j n GLN 38 N 0.68 4.47 -4.55 -0.38 -0.06 -1.26 -4.92 117.38 111.36 1x5j n GLN 38 Ca 0.01 -4.62 -0.27 0.00 -2.00 0.00 0.00 57.00 50.12 1x5j n GLN 38 Cb 0.47 -2.46 -0.17 0.00 -4.06 0.00 0.00 30.24 24.03 1x5j n GLN 38 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 1x5j s LYS 39 N -3.21 2.07 -1.11 3.69 2.36 -1.26 -5.07 119.74 117.20 1x5j s LYS 39 Ca 0.35 -0.52 -0.17 0.00 -2.55 0.00 0.00 55.97 53.09 1x5j s LYS 39 Cb 0.11 -1.73 0.14 0.00 -1.05 0.00 0.00 37.83 35.29 1x5j s LYS 39 CO 0.02 -0.02 1.37 0.42 1.55 0.00 0.00 175.35 178.69 1x5j s ILE 40 N 0.85 4.75 -0.81 5.43 1.01 -1.26 -4.90 121.20 126.27 1x5j s ILE 40 Ca -0.10 -2.07 0.02 0.00 0.00 0.00 0.00 60.65 58.50 1x5j s ILE 40 Cb -0.15 -4.91 0.23 0.00 0.01 0.00 0.00 42.46 37.64 1x5j s ILE 40 CO 0.01 -1.65 0.81 1.07 0.00 0.00 0.00 174.94 175.18 1x5j n THR 41 N 5.27 2.86 -3.75 2.92 5.66 -1.26 -5.02 114.28 120.97 1x5j n THR 41 Ca 0.33 -5.21 -0.06 0.00 -3.05 0.00 0.00 64.05 56.07 1x5j n THR 41 Cb 0.46 -2.22 0.02 0.00 -1.55 0.00 0.00 70.33 67.04 1x5j n THR 41 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1x5j n ASP 42 N 1.69 -1.84 -2.57 1.09 8.00 -1.26 -5.04 116.55 116.63 1x5j n ASP 42 Ca 0.24 -2.18 -0.26 0.00 0.71 0.00 0.00 54.79 53.30 1x5j n ASP 42 Cb 0.37 3.04 -0.07 0.00 -0.02 0.00 0.00 41.12 44.44 1x5j n ASP 42 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1x5j n SER 43 N -1.37 6.54 -4.45 -2.24 2.88 -1.26 -4.90 113.62 108.82 1x5j n SER 43 Ca -0.06 -3.02 -0.25 0.00 -1.33 0.00 0.00 58.87 54.22 1x5j n SER 43 Cb 0.52 -1.30 -0.11 0.00 -0.75 0.00 0.00 64.21 62.57 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 -0.92 1.60 -0.08 -1.46 1.70 -1.26 -3.62 118.95 114.92 1x5j s ARG 44 Ca 0.60 -1.67 -0.04 0.00 -0.47 0.00 0.00 55.73 54.15 1x5j s ARG 44 Cb 0.33 -1.75 0.03 0.00 -0.57 0.00 0.00 34.95 33.00 1x5j s ARG 44 CO -0.15 0.34 0.18 1.52 -1.08 0.00 0.00 175.30 176.11 1x5j s TYR 45 N -2.26 -0.22 -0.03 5.89 1.13 -1.12 -4.90 117.35 115.84 1x5j s TYR 45 Ca 0.26 0.56 -0.21 0.00 -1.41 0.00 0.00 57.07 56.27 1x5j s TYR 45 Cb -0.06 -0.00 -0.05 0.00 -1.10 0.00 0.00 41.96 40.75 1x5j s TYR 45 CO 0.13 -0.16 0.63 0.71 -2.51 0.00 0.00 175.55 174.34 1x5j s TYR 46 N 0.90 3.64 -0.29 -3.49 1.51 -1.24 -3.01 117.35 115.37 1x5j s TYR 46 Ca -0.07 1.20 -0.00 0.00 -1.01 0.00 0.00 57.07 57.20 1x5j s TYR 46 Cb -0.08 -2.68 0.06 0.00 -0.11 0.00 0.00 41.96 39.14 1x5j s TYR 46 CO -0.05 0.25 -0.03 0.99 -1.11 0.00 0.00 175.55 175.60 1x5j s THR 47 N 0.20 2.73 -0.33 -0.71 2.01 -0.83 -2.32 115.64 116.38 1x5j s THR 47 Ca 0.33 -1.51 -0.17 0.00 0.31 0.00 0.00 61.69 60.65 1x5j s THR 47 Cb -0.18 -2.60 -0.01 0.00 0.01 0.00 0.00 72.50 69.72 1x5j s THR 47 CO 0.17 -0.12 0.44 -0.69 -0.69 0.00 0.00 174.62 173.73 1x5j s VAL 48 N 1.19 5.10 0.10 3.82 1.01 -1.24 -3.02 120.40 127.36 1x5j s VAL 48 Ca -0.05 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1x5j s VAL 48 Cb -0.20 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1x5j s VAL 48 CO -0.03 -0.10 0.16 0.00 0.00 0.00 0.00 175.10 175.14 1x5j s ARG 49 N 2.21 3.14 -0.00 2.72 1.70 -0.73 -2.19 118.95 125.79 1x5j s ARG 49 Ca 0.16 -0.64 -0.24 0.00 -0.47 0.00 0.00 55.73 54.54 1x5j s ARG 49 Cb -0.16 -2.84 0.05 0.00 -0.57 0.00 0.00 34.95 31.43 1x5j s ARG 49 CO 0.12 0.56 0.54 1.67 -1.08 0.00 0.00 175.30 177.11 1x5j s TRP 50 N -1.55 -0.47 0.36 5.89 -2.14 0.26 -2.27 118.94 119.01 1x5j s TRP 50 Ca 0.32 0.70 -0.15 0.00 2.66 0.00 0.00 56.10 59.63 1x5j s TRP 50 Cb -0.12 0.32 0.04 0.00 -3.10 0.00 0.00 33.47 30.61 1x5j s TRP 50 CO 0.25 -0.58 0.73 -1.59 -2.66 0.00 0.00 176.95 173.10 1x5j s LYS 51 N -1.71 2.09 -0.15 3.25 0.00 -1.23 -1.92 119.74 120.07 1x5j s LYS 51 Ca -0.09 -1.39 -0.12 0.00 0.00 0.00 0.00 55.97 54.37 1x5j s LYS 51 Cb -0.01 0.60 -0.05 0.00 0.00 0.00 0.00 37.83 38.37 1x5j s LYS 51 CO 0.04 -0.96 0.24 0.95 0.00 0.00 0.00 175.35 175.62 1x5j s THR 52 N -2.75 5.34 0.29 3.79 -4.23 -1.26 -1.03 115.64 115.79 1x5j s THR 52 Ca 0.17 0.43 -0.01 0.00 -1.18 0.00 0.00 61.69 61.09 1x5j s THR 52 Cb -0.05 -3.56 0.20 0.00 1.34 0.00 0.00 72.50 70.43 1x5j s THR 52 CO 0.12 0.45 1.89 -1.13 -0.54 0.00 0.00 174.62 175.41 1x5j h ASN 53 N 6.25 0.81 -3.23 3.99 -0.73 -1.63 -3.41 115.58 117.62 1x5j h ASN 53 Ca -0.44 -0.10 -0.62 0.00 1.87 0.00 0.00 56.30 57.01 1x5j h ASN 53 Cb 1.18 -0.21 -0.34 0.00 0.27 0.00 0.00 38.32 39.21 1x5j h ASN 53 CO 0.72 0.71 -0.85 -0.63 -0.37 0.00 0.00 177.43 177.01 1x5j s ILE 54 N -5.45 1.71 1.16 2.57 -1.09 -1.26 -2.65 121.20 116.18 1x5j s ILE 54 Ca -0.10 -0.77 -0.18 0.00 -2.23 0.00 0.00 60.65 57.37 1x5j s ILE 54 Cb 0.16 -1.54 0.27 0.00 -1.58 0.00 0.00 42.46 39.77 1x5j s ILE 54 CO 0.79 0.48 1.11 -2.16 -1.23 0.00 0.00 174.94 173.93 1x5j s PRO 55 N 0.95 -0.89 0.03 2.79 0.04 -1.26 -5.03 135.00 131.63 1x5j s PRO 55 Ca -0.06 0.05 -0.28 0.00 0.04 0.00 0.00 61.00 60.75 1x5j s PRO 55 Cb -0.15 -1.62 -0.17 0.00 0.04 0.00 0.00 34.50 32.60 1x5j s PRO 55 CO -0.02 -3.52 1.37 0.00 0.04 0.00 0.00 177.00 174.87 1x5j h ALA 56 N -2.44 -0.71 -1.73 8.56 0.00 -1.78 -3.40 119.26 117.76 1x5j h ALA 56 Ca -0.47 -0.19 -0.56 0.00 0.00 0.00 0.00 54.91 53.68 1x5j h ALA 56 Cb 1.30 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 19.29 1x5j h ALA 56 CO 0.39 -0.80 0.89 -0.80 0.00 0.00 0.00 179.25 178.93 1x5j s ASN 57 N -4.69 6.60 -0.19 0.00 -0.87 -1.26 -4.91 114.94 109.62 1x5j s ASN 57 Ca -0.15 0.38 -0.08 0.00 -1.57 0.00 0.00 52.86 51.44 1x5j s ASN 57 Cb 0.03 -2.54 0.08 0.00 -0.02 0.00 0.00 41.25 38.79 1x5j s ASN 57 CO 0.55 -1.26 0.42 0.42 -2.57 0.00 0.00 177.10 174.67 1x5j s THR 58 N 4.43 -0.35 0.23 1.60 -4.23 -1.26 -5.10 115.64 110.95 1x5j s THR 58 Ca 0.46 0.13 -0.18 0.00 -1.18 0.00 0.00 61.69 60.93 1x5j s THR 58 Cb -0.07 -0.65 -0.12 0.00 1.34 0.00 0.00 72.50 73.00 1x5j s THR 58 CO 0.31 0.05 0.20 1.17 -0.54 0.00 0.00 174.62 175.81 1x5j n LYS 59 N 4.85 0.00 -3.50 3.99 4.81 -1.26 -4.82 118.16 122.23 1x5j n LYS 59 Ca -0.15 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 56.90 1x5j n LYS 59 Cb 0.52 -0.73 -0.10 0.00 0.02 0.00 0.00 35.03 34.75 1x5j n LYS 59 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1x5j s TYR 60 N -1.00 3.23 -0.12 5.64 1.51 -1.26 -4.78 117.35 120.57 1x5j s TYR 60 Ca 0.45 0.25 -0.18 0.00 -1.01 0.00 0.00 57.07 56.57 1x5j s TYR 60 Cb -0.56 -2.46 -0.04 0.00 -0.11 0.00 0.00 41.96 38.79 1x5j s TYR 60 CO 0.43 -0.19 0.49 0.15 -1.11 0.00 0.00 175.55 175.32 1x5j s LYS 61 N 1.89 4.35 0.14 -0.62 1.02 -0.81 -4.93 119.74 120.77 1x5j s LYS 61 Ca 0.11 0.47 0.08 0.00 0.02 0.00 0.00 55.97 56.65 1x5j s LYS 61 Cb -0.16 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 1x5j s LYS 61 CO 0.10 0.15 -0.18 -0.80 -0.92 0.00 0.00 175.35 173.70 1x5j s ASN 62 N 0.63 2.54 0.33 2.83 0.02 -1.26 -0.57 114.94 119.46 1x5j s ASN 62 Ca 0.27 -0.80 0.03 0.00 -1.02 0.00 0.00 52.86 51.33 1x5j s ASN 62 Cb -0.15 -0.14 -0.01 0.00 0.02 0.00 0.00 41.25 40.97 1x5j s ASN 62 CO 0.11 -0.02 0.11 0.00 0.02 0.00 0.00 177.10 177.31 1x5j n ALA 63 N 0.56 0.44 -3.75 0.60 0.00 -0.93 -4.99 120.51 112.45 1x5j n ALA 63 Ca -0.15 -1.65 -0.23 0.00 0.00 0.00 0.00 53.44 51.42 1x5j n ALA 63 Cb 0.56 1.09 -0.18 0.00 0.00 0.00 0.00 19.45 20.93 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 -2.99 1.56 -0.30 0.00 2.20 -1.26 -3.74 114.94 110.42 1x5j s ASN 64 Ca 0.15 -0.09 -0.08 0.00 -0.94 0.00 0.00 52.86 51.90 1x5j s ASN 64 Cb 0.01 -0.38 0.15 0.00 -2.00 0.00 0.00 41.25 39.02 1x5j s ASN 64 CO 0.11 -0.21 0.67 0.00 -2.94 0.00 0.00 177.10 174.72 1x5j s ALA 65 N 2.01 -2.17 -0.78 3.54 0.00 -0.98 -5.05 121.76 118.32 1x5j s ALA 65 Ca 0.05 2.19 -0.24 0.00 0.00 0.00 0.00 51.96 53.96 1x5j s ALA 65 Cb -0.12 -1.91 0.06 0.00 0.00 0.00 0.00 23.12 21.15 1x5j s ALA 65 CO -0.05 -1.04 1.18 0.95 0.00 0.00 0.00 175.76 176.80 1x5j s THR 66 N 2.86 4.09 0.02 0.00 -4.23 -1.26 -3.59 115.64 113.54 1x5j s THR 66 Ca 0.01 -0.32 -0.27 0.00 -1.18 0.00 0.00 61.69 59.93 1x5j s THR 66 Cb -0.12 -4.84 0.09 0.00 1.34 0.00 0.00 72.50 68.96 1x5j s THR 66 CO -0.19 -1.69 1.23 0.28 -0.54 0.00 0.00 174.62 173.71 1x5j s THR 67 N 4.63 0.00 -0.42 3.99 -1.32 -1.26 -5.00 115.64 116.26 1x5j s THR 67 Ca 0.32 -0.25 0.15 0.00 -1.21 0.00 0.00 61.69 60.70 1x5j s THR 67 Cb -0.09 -2.92 0.70 0.00 -1.51 0.00 0.00 72.50 68.67 1x5j s THR 67 CO 0.06 0.00 1.61 0.18 -2.21 0.00 0.00 174.62 174.26 1x5j n LEU 68 N -0.85 4.90 -3.63 9.08 4.77 -1.26 -4.88 117.00 125.12 1x5j n LEU 68 Ca 0.02 -2.83 -0.11 0.00 -0.03 0.00 0.00 56.01 53.06 1x5j n LEU 68 Cb 0.59 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 41.01 1x5j n LEU 68 CO 0.16 0.68 0.65 -0.44 -1.33 0.00 0.00 177.39 177.11 1x5j s SER 69 N -1.17 -0.53 -0.10 -1.43 0.01 -1.26 -2.52 113.70 106.70 1x5j s SER 69 Ca 0.49 0.98 -0.05 0.00 1.31 0.00 0.00 55.95 58.68 1x5j s SER 69 Cb 0.37 0.97 0.05 0.00 0.21 0.00 0.00 66.02 67.62 1x5j s SER 69 CO 0.15 -0.21 0.22 -0.47 0.41 0.00 0.00 173.24 173.35 1x5j s TYR 70 N 0.10 -0.31 -0.35 2.43 5.04 0.05 -5.01 117.35 119.30 1x5j s TYR 70 Ca 0.01 0.76 -0.18 0.00 -2.44 0.00 0.00 57.07 55.22 1x5j s TYR 70 Cb -0.04 -0.02 -0.00 0.00 0.35 0.00 0.00 41.96 42.24 1x5j s TYR 70 CO -0.03 -0.25 0.49 -1.17 -1.34 0.00 0.00 175.55 173.25 1x5j s LEU 71 N 1.60 4.38 0.04 6.97 2.96 -1.26 -0.91 118.68 132.46 1x5j s LEU 71 Ca -0.06 -0.08 -0.26 0.00 -0.22 0.00 0.00 54.13 53.51 1x5j s LEU 71 Cb -0.11 -2.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.98 1x5j s LEU 71 CO -0.08 -0.47 0.82 -0.69 -1.32 0.00 0.00 176.35 174.61 1x5j s VAL 72 N 2.35 4.72 0.15 1.68 1.01 0.11 -4.95 120.40 125.47 1x5j s VAL 72 Ca 0.18 1.74 0.03 0.00 0.00 0.00 0.00 61.98 63.93 1x5j s VAL 72 Cb -0.16 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 1x5j s VAL 72 CO 0.13 0.33 -0.06 0.42 0.00 0.00 0.00 175.10 175.92 1x5j s THR 73 N 0.12 0.95 -0.10 3.92 -4.23 -1.26 -2.18 115.64 112.86 1x5j s THR 73 Ca 0.41 -2.01 -0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1x5j s THR 73 Cb -0.21 -1.93 -0.00 0.00 1.34 0.00 0.00 72.50 71.70 1x5j s THR 73 CO 0.24 -0.67 0.08 0.61 -0.54 0.00 0.00 174.62 174.35 1x5j n GLY 74 N -0.20 0.48 3.67 3.99 0.00 -1.20 -5.05 105.19 106.88 1x5j n GLY 74 Ca -0.09 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.60 3.01 -0.07 0.99 1.43 -1.26 -5.12 118.68 115.05 1x5j s LEU 75 Ca 0.01 -1.13 -0.12 0.00 -1.03 0.00 0.00 54.13 51.86 1x5j s LEU 75 Cb -0.00 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 1x5j s LEU 75 CO 0.06 -0.42 0.31 -0.75 0.23 0.00 0.00 176.35 175.78 1x5j s LYS 76 N -3.79 3.87 0.65 1.70 2.20 -1.26 -4.61 119.74 118.50 1x5j s LYS 76 Ca 0.37 0.18 -0.15 0.00 -0.36 0.00 0.00 55.97 56.02 1x5j s LYS 76 Cb 0.04 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 33.09 1x5j s LYS 76 CO 0.20 0.60 1.11 -1.25 -0.36 0.00 0.00 175.35 175.65 1x5j s PRO 77 N -0.66 2.85 -1.40 4.03 0.04 -1.26 -3.73 135.00 134.89 1x5j s PRO 77 Ca 0.20 1.40 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 1x5j s PRO 77 Cb -0.14 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1x5j s PRO 77 CO 0.08 -1.21 0.48 -1.71 0.04 0.00 0.00 177.00 174.68 1x5j n ASN 78 N -2.33 -0.56 -3.76 6.66 5.15 -1.23 -4.89 115.26 114.30 1x5j n ASN 78 Ca 0.10 -0.97 -0.12 0.00 -0.60 0.00 0.00 54.58 52.99 1x5j n ASN 78 Cb 0.52 -3.24 -0.12 0.00 -0.53 0.00 0.00 39.78 36.41 1x5j n ASN 78 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1x5j s THR 79 N -3.89 -0.02 -0.00 -0.44 2.01 -1.24 -5.05 115.64 107.01 1x5j s THR 79 Ca 0.03 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 1x5j s THR 79 Cb -0.01 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 1x5j s THR 79 CO 0.87 0.03 1.07 -0.22 -0.69 0.00 0.00 174.62 175.68 1x5j s LEU 80 N 0.68 4.34 0.19 4.42 1.98 -1.26 -4.14 118.68 124.90 1x5j s LEU 80 Ca -0.05 1.76 0.08 0.00 -2.89 0.00 0.00 54.13 53.04 1x5j s LEU 80 Cb -0.06 -3.57 -0.04 0.00 0.66 0.00 0.00 46.19 43.18 1x5j s LEU 80 CO -0.04 -0.38 -0.17 -0.31 -1.89 0.00 0.00 176.35 173.56 1x5j s TYR 81 N 1.29 1.80 0.06 5.38 1.51 -1.21 -1.54 117.35 124.65 1x5j s TYR 81 Ca 0.54 -0.50 0.03 0.00 -1.01 0.00 0.00 57.07 56.12 1x5j s TYR 81 Cb -0.23 -0.86 -0.04 0.00 -0.11 0.00 0.00 41.96 40.72 1x5j s TYR 81 CO 0.26 0.37 0.06 -1.21 -1.11 0.00 0.00 175.55 173.92 1x5j s GLU 82 N -3.20 2.85 -0.06 -0.62 8.01 -0.20 -2.83 118.70 122.66 1x5j s GLU 82 Ca 0.19 -0.68 -0.02 0.00 0.01 0.00 0.00 54.97 54.47 1x5j s GLU 82 Cb -0.04 -2.72 0.04 0.00 -4.31 0.00 0.00 34.13 27.11 1x5j s GLU 82 CO 0.07 0.58 0.12 -0.06 0.01 0.00 0.00 175.26 175.98 1x5j s PHE 83 N -1.33 -0.09 -0.04 1.61 0.08 -0.64 -3.55 117.98 114.01 1x5j s PHE 83 Ca 0.27 0.44 -0.06 0.00 0.12 0.00 0.00 56.93 57.70 1x5j s PHE 83 Cb -0.12 -0.26 0.01 0.00 -0.57 0.00 0.00 43.02 42.08 1x5j s PHE 83 CO 0.20 -0.20 0.16 -1.12 -0.10 0.00 0.00 175.22 174.15 1x5j s SER 84 N 1.83 -0.11 -0.04 1.36 0.01 -0.96 -0.71 113.70 115.09 1x5j s SER 84 Ca -0.01 0.16 0.06 0.00 1.31 0.00 0.00 55.95 57.47 1x5j s SER 84 Cb -0.12 0.30 -0.01 0.00 0.21 0.00 0.00 66.02 66.40 1x5j s SER 84 CO -0.05 -0.16 -0.21 -0.69 0.41 0.00 0.00 173.24 172.55 1x5j s VAL 85 N -0.38 1.67 0.09 3.43 1.01 -1.26 -1.77 120.40 123.19 1x5j s VAL 85 Ca -0.05 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1x5j s VAL 85 Cb -0.03 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1x5j s VAL 85 CO 0.01 0.47 -0.06 0.00 0.00 0.00 0.00 175.10 175.52 1x5j s MET 86 N -0.23 0.77 -0.02 2.72 0.23 -1.17 -3.74 119.30 117.87 1x5j s MET 86 Ca 0.01 -1.28 0.07 0.00 -1.03 0.00 0.00 55.69 53.47 1x5j s MET 86 Cb -0.11 -0.13 -0.02 0.00 -1.53 0.00 0.00 34.83 33.05 1x5j s MET 86 CO 0.01 -0.03 -0.23 0.54 -2.03 0.00 0.00 175.02 173.28 1x5j s VAL 87 N -3.54 1.83 -0.03 5.16 0.11 -1.26 -1.96 120.40 120.69 1x5j s VAL 87 Ca 0.10 -0.99 0.05 0.00 -2.93 0.00 0.00 61.98 58.20 1x5j s VAL 87 Cb 0.05 -1.52 -0.01 0.00 -1.53 0.00 0.00 36.38 33.38 1x5j s VAL 87 CO -0.05 0.52 -0.17 -0.89 -3.33 0.00 0.00 175.10 171.17 1x5j s THR 88 N -0.54 1.43 -0.80 5.04 2.01 -1.16 -2.38 115.64 119.24 1x5j s THR 88 Ca 0.09 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.37 1x5j s THR 88 Cb -0.09 -1.22 0.33 0.00 0.01 0.00 0.00 72.50 71.53 1x5j s THR 88 CO -0.01 0.41 1.38 1.17 -0.69 0.00 0.00 174.62 176.88 1x5j n LYS 89 N 2.98 4.33 0.00 4.92 3.00 -0.57 -2.81 118.16 130.01 1x5j n LYS 89 Ca -0.17 -4.77 0.00 0.00 -0.00 0.00 0.00 58.31 53.37 1x5j n LYS 89 Cb 0.53 -2.35 0.00 0.00 0.00 0.00 0.00 35.03 33.21 1x5j n LYS 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x5j n GLY 90 N -0.15 0.90 0.12 3.14 0.00 -1.24 -2.55 105.19 105.41 1x5j n GLY 90 Ca 0.39 0.32 -0.15 0.00 0.00 0.00 0.00 46.02 46.58 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 0.00 0.68 -2.25 1.61 0.63 -1.26 -4.98 116.66 111.10 1x5j n ARG 91 Ca 0.00 0.15 -0.25 0.00 -0.92 0.00 0.00 57.85 56.82 1x5j n ARG 91 Cb 0.00 -1.60 0.07 0.00 0.45 0.00 0.00 32.46 31.39 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 -2.53 2.13 -0.23 -0.14 0.52 -1.06 -5.11 118.95 112.54 1x5j s ARG 92 Ca -0.21 -0.35 -0.28 0.00 -0.52 0.00 0.00 55.73 54.36 1x5j s ARG 92 Cb 0.08 -2.19 0.15 0.00 0.52 0.00 0.00 34.95 33.50 1x5j s ARG 92 CO 0.73 -1.26 1.15 -1.54 0.02 0.00 0.00 175.30 174.40 1x5j s SER 93 N -4.54 -0.27 0.45 0.23 1.04 -1.26 -1.51 113.70 107.84 1x5j s SER 93 Ca 0.61 0.36 0.08 0.00 0.48 0.00 0.00 55.95 57.48 1x5j s SER 93 Cb -0.10 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.35 1x5j s SER 93 CO 0.44 -0.19 0.57 -0.94 0.98 0.00 0.00 173.24 174.10 1x5j s SER 94 N -0.71 5.45 1.04 7.02 1.04 -1.00 -3.91 113.70 122.62 1x5j s SER 94 Ca 0.03 -0.56 -0.17 0.00 0.48 0.00 0.00 55.95 55.73 1x5j s SER 94 Cb -0.02 -0.47 0.23 0.00 0.10 0.00 0.00 66.02 65.86 1x5j s SER 94 CO -0.04 -0.84 1.23 1.07 0.98 0.00 0.00 173.24 175.64 1x5j n THR 95 N -1.86 0.00 -2.89 2.02 5.66 -1.26 -4.77 114.28 111.18 1x5j n THR 95 Ca 0.08 -0.85 -0.42 0.00 -3.05 0.00 0.00 64.05 59.82 1x5j n THR 95 Cb 0.60 -1.48 -0.04 0.00 -1.55 0.00 0.00 70.33 67.86 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 -3.61 3.32 1.34 1.09 0.52 -1.26 -4.51 118.94 115.83 1x5j s TRP 96 Ca 0.71 1.15 -0.19 0.00 0.02 0.00 0.00 56.10 57.79 1x5j s TRP 96 Cb -0.03 -3.04 0.34 0.00 -1.15 0.00 0.00 33.47 29.59 1x5j s TRP 96 CO 0.51 -0.38 0.92 -1.13 0.02 0.00 0.00 176.95 176.89 1x5j n SER 97 N 5.92 -3.02 -4.61 2.95 3.41 -1.25 -4.80 113.62 112.22 1x5j n SER 97 Ca 0.05 -0.53 -0.48 0.00 -0.26 0.00 0.00 58.87 57.65 1x5j n SER 97 Cb 0.48 -1.12 -0.05 0.00 -0.26 0.00 0.00 64.21 63.25 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 -5.35 1.86 -1.71 4.33 0.00 -1.26 -4.82 117.12 110.17 1x5j n MET 98 Ca 0.07 0.63 -0.43 0.00 0.00 0.00 0.00 57.70 57.97 1x5j n MET 98 Cb 0.57 -2.70 -0.03 0.00 0.00 0.00 0.00 33.22 31.06 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 5.61 3.13 -0.17 3.17 2.01 -1.26 -4.84 115.64 123.29 1x5j s THR 99 Ca 0.98 0.14 -0.22 0.00 0.31 0.00 0.00 61.69 62.90 1x5j s THR 99 Cb -0.67 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1x5j s THR 99 CO 0.48 -0.08 0.68 0.00 -0.69 0.00 0.00 174.62 175.02 1x5j s ALA 100 N 7.16 3.51 -0.18 7.40 0.00 0.12 -4.86 121.76 134.91 1x5j s ALA 100 Ca 0.93 -0.14 -0.15 0.00 0.00 0.00 0.00 51.96 52.60 1x5j s ALA 100 Cb -0.33 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1x5j s ALA 100 CO 0.36 -0.50 0.34 -1.01 0.00 0.00 0.00 175.76 174.94 1x5j s HIS 101 N 1.79 3.42 -0.09 0.00 3.76 -1.26 -1.62 115.29 121.29 1x5j s HIS 101 Ca 0.32 0.60 0.01 0.00 -0.15 0.00 0.00 55.06 55.84 1x5j s HIS 101 Cb -0.16 -2.42 0.02 0.00 1.11 0.00 0.00 32.58 31.13 1x5j s HIS 101 CO 0.12 0.13 -0.08 0.20 -0.85 0.00 0.00 174.74 174.25 1x5j s GLY 102 N 0.74 0.75 -0.37 -2.22 0.00 -1.13 -4.91 107.32 100.17 1x5j s GLY 102 Ca 0.18 -0.42 -0.13 0.00 0.00 0.00 0.00 44.72 44.35 1x5j s GLY 102 CO 0.06 0.56 0.24 -1.59 0.00 0.00 0.00 173.10 172.37 1x5j s THR 103 N 1.29 4.96 0.88 0.90 2.01 -1.26 -3.28 115.64 121.14 1x5j s THR 103 Ca -0.03 -0.59 -0.11 0.00 0.31 0.00 0.00 61.69 61.27 1x5j s THR 103 Cb -0.14 -3.68 0.12 0.00 0.01 0.00 0.00 72.50 68.81 1x5j s THR 103 CO -0.03 -0.17 1.10 0.42 -0.69 0.00 0.00 174.62 175.25 1x5j s THR 104 N 1.64 2.71 0.65 -0.82 -4.23 -1.26 -4.99 115.64 109.35 1x5j s THR 104 Ca 0.04 0.23 -0.14 0.00 -1.18 0.00 0.00 61.69 60.65 1x5j s THR 104 Cb -0.18 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 1x5j s THR 104 CO 0.09 -0.30 1.07 -0.36 -0.54 0.00 0.00 174.62 174.57 1x5j s PHE 105 N -2.83 2.91 0.11 3.99 0.08 -1.26 -3.91 117.98 117.07 1x5j s PHE 105 Ca 0.64 1.50 -0.30 0.00 0.12 0.00 0.00 56.93 58.88 1x5j s PHE 105 Cb -0.19 -3.01 -0.07 0.00 -0.57 0.00 0.00 43.02 39.18 1x5j s PHE 105 CO 0.57 -1.32 1.21 -1.21 -0.10 0.00 0.00 175.22 174.38 1x5j s GLU 106 N -4.40 4.44 -0.75 0.44 2.02 -1.26 -3.51 118.70 115.68 1x5j s GLU 106 Ca 0.63 1.83 -0.12 0.00 0.02 0.00 0.00 54.97 57.33 1x5j s GLU 106 Cb -0.16 -3.30 0.20 0.00 0.10 0.00 0.00 34.13 30.96 1x5j s GLU 106 CO 0.44 -0.22 0.66 -1.17 0.02 0.00 0.00 175.26 175.00 1x5j s LEU 107 N 0.65 6.37 0.10 1.80 2.96 -1.26 -4.97 118.68 124.33 1x5j s LEU 107 Ca 0.57 -2.61 -0.31 0.00 -0.22 0.00 0.00 54.13 51.57 1x5j s LEU 107 Cb -0.31 -2.13 -0.10 0.00 0.50 0.00 0.00 46.19 44.15 1x5j s LEU 107 CO 0.32 -0.57 1.87 -0.94 -1.32 0.00 0.00 176.35 175.71 1x5j s SER 108 N 2.04 6.43 0.00 3.68 1.04 -1.26 -4.32 113.70 121.30 1x5j s SER 108 Ca 0.16 2.74 0.00 0.00 0.48 0.00 0.00 55.95 59.33 1x5j s SER 108 Cb -0.15 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1x5j s SER 108 CO -0.06 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1x5j n GLY 109 N 4.32 -0.66 0.00 7.32 0.00 -1.26 -4.91 105.19 110.00 1x5j n GLY 109 Ca 0.18 0.25 0.07 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 0.21 -1.36 1.61 -0.04 -1.26 -4.86 135.00 129.31 1x5j n PRO 110 Ca 0.00 0.14 -0.54 0.00 -0.04 0.00 0.00 63.50 63.06 1x5j n PRO 110 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 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 -1.28 0.92 -4.77 3.54 3.41 -1.26 -4.87 113.62 109.31 1x5j n SER 111 Ca 0.07 0.90 -0.30 0.00 -0.26 0.00 0.00 58.87 59.28 1x5j n SER 111 Cb 0.12 -0.71 0.11 0.00 -0.26 0.00 0.00 64.21 63.46 1x5j n SER 111 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5j s SER 112 N 2.77 4.13 0.00 4.04 0.01 -1.26 -5.17 113.70 118.21 1x5j s SER 112 Ca 0.87 1.45 0.00 0.00 1.31 0.00 0.00 55.95 59.57 1x5j s SER 112 Cb -1.21 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 62.85 1x5j s SER 112 CO 0.64 -2.22 0.00 0.61 0.41 0.00 0.00 173.24 172.68