#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjg n SER 2 N 0.00 0.00 -2.94 6.12 2.88 -1.26 -4.90 113.62 113.51 1sjg n SER 2 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1sjg n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1sjg n SER 2 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1sjg n PHE 3 N -0.03 -2.66 -4.21 0.66 3.72 -1.25 -4.97 117.46 108.73 1sjg n PHE 3 Ca 0.00 1.16 -0.34 0.00 -0.05 0.00 0.00 57.45 58.21 1sjg n PHE 3 Cb 0.00 -2.96 -0.08 0.00 -0.94 0.00 0.00 39.48 35.50 1sjg n PHE 3 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1sjg s GLU 4 N -1.65 3.04 -0.10 -1.08 0.41 0.95 -4.61 118.70 115.66 1sjg s GLU 4 Ca 0.07 -0.43 -0.29 0.00 -0.41 0.00 0.00 54.97 53.91 1sjg s GLU 4 Cb -0.01 -2.85 -0.05 0.00 -1.78 0.00 0.00 34.13 29.44 1sjg s GLU 4 CO 0.56 0.68 1.76 0.21 -0.49 0.00 0.00 175.26 177.98 1sjg s LYS 5 N -1.28 3.96 -0.16 1.61 2.47 -1.26 -0.38 119.74 124.70 1sjg s LYS 5 Ca 0.18 2.10 -0.13 0.00 -1.56 0.00 0.00 55.97 56.55 1sjg s LYS 5 Cb -0.12 -4.07 -0.06 0.00 -1.46 0.00 0.00 37.83 32.12 1sjg s LYS 5 CO 0.08 -1.12 -0.28 1.51 0.16 0.00 0.00 175.35 175.69 1sjg n ILE 6 N 5.99 1.36 -3.64 5.43 3.06 -0.84 -4.92 119.36 125.80 1sjg n ILE 6 Ca 0.19 0.02 -0.07 0.00 -2.50 0.00 0.00 62.75 60.39 1sjg n ILE 6 Cb 0.43 -2.05 0.01 0.00 0.54 0.00 0.00 39.64 38.58 1sjg n ILE 6 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1sjg s SER 8 N -2.51 5.81 0.40 0.00 1.04 -1.26 -0.05 113.70 117.12 1sjg s SER 8 Ca 0.13 0.08 0.21 0.00 0.48 0.00 0.00 55.95 56.85 1sjg s SER 8 Cb -0.03 -1.64 0.72 0.00 0.10 0.00 0.00 66.02 65.17 1sjg s SER 8 CO 0.10 0.17 1.74 0.25 0.98 0.00 0.00 173.24 176.48 1sjg h LEU 9 N 3.19 0.00 -2.11 2.42 6.46 -1.77 -2.42 115.31 121.08 1sjg h LEU 9 Ca -0.46 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.28 1sjg h LEU 9 Cb 1.16 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.09 1sjg h LEU 9 CO 0.69 0.31 -0.07 -0.78 -0.62 0.00 0.00 178.44 177.97 1sjg h ASP 10 N 0.00 0.00 0.02 1.25 3.58 -1.75 -2.99 116.42 116.53 1sjg h ASP 10 Ca -0.00 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.20 1sjg h ASP 10 Cb 0.88 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.90 1sjg h ASP 10 CO 0.04 0.07 -1.34 -0.78 -2.88 0.00 0.00 179.24 174.35 1sjg h ASP 11 N 0.00 0.07 -3.54 2.28 3.58 -1.79 -3.44 116.42 113.58 1sjg h ASP 11 Ca -0.00 -0.60 -0.71 0.00 0.42 0.00 0.00 57.03 56.14 1sjg h ASP 11 Cb 0.18 -0.02 -0.21 0.00 1.72 0.00 0.00 39.33 40.99 1sjg h ASP 11 CO 0.01 1.54 -0.45 0.27 -2.88 0.00 0.00 179.24 177.72 1sjg s ILE 12 N -2.39 5.12 0.82 2.25 -4.36 -1.08 -5.06 121.20 116.50 1sjg s ILE 12 Ca -0.27 -0.64 -0.12 0.00 -0.26 0.00 0.00 60.65 59.36 1sjg s ILE 12 Cb 0.06 -3.82 0.09 0.00 1.25 0.00 0.00 42.46 40.03 1sjg s ILE 12 CO 0.63 -0.25 1.17 0.26 0.24 0.00 0.00 174.94 176.98 1sjg s TRP 13 N 1.66 2.90 -0.09 1.37 0.52 -1.25 -4.69 118.94 119.36 1sjg s TRP 13 Ca 0.05 0.78 -0.31 0.00 0.02 0.00 0.00 56.10 56.63 1sjg s TRP 13 Cb -0.19 -3.47 -0.09 0.00 -1.15 0.00 0.00 33.47 28.58 1sjg s TRP 13 CO 0.09 -1.85 2.04 0.28 0.02 0.00 0.00 176.95 177.53 1sjg n VAL 14 N -3.38 0.57 -0.13 4.03 0.31 -1.26 -0.40 118.33 118.08 1sjg n VAL 14 Ca 0.08 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1sjg n VAL 14 Cb 0.61 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 1sjg n VAL 14 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sjg n GLY 15 N 4.98 0.64 3.79 2.92 0.00 0.75 -4.98 105.19 113.29 1sjg n GLY 15 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 1sjg n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sjg s GLU 16 N -0.87 3.09 -0.02 1.61 2.02 0.47 -4.96 118.70 120.04 1sjg s GLU 16 Ca 0.00 -0.46 -0.03 0.00 0.02 0.00 0.00 54.97 54.49 1sjg s GLU 16 Cb 0.00 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.36 1sjg s GLU 16 CO 0.00 0.65 0.07 0.00 0.02 0.00 0.00 175.26 176.01 1sjg s MET 17 N -1.68 0.21 -0.03 1.61 0.23 -1.26 -1.02 119.30 117.36 1sjg s MET 17 Ca 0.22 -0.12 -0.20 0.00 -1.03 0.00 0.00 55.69 54.57 1sjg s MET 17 Cb -0.12 0.09 0.04 0.00 -1.53 0.00 0.00 34.83 33.31 1sjg s MET 17 CO 0.13 -0.04 0.43 -2.00 -2.03 0.00 0.00 175.02 171.51 1sjg s GLU 18 N -0.50 0.79 -0.20 3.16 2.56 -0.26 -4.53 118.70 119.71 1sjg s GLU 18 Ca -0.06 -0.03 -0.21 0.00 0.00 0.00 0.00 54.97 54.67 1sjg s GLU 18 Cb -0.04 0.36 -0.02 0.00 2.00 0.00 0.00 34.13 36.43 1sjg s GLU 18 CO 0.00 -0.23 0.64 0.99 -0.56 0.00 0.00 175.26 176.10 1sjg s THR 19 N -1.25 5.01 0.23 -1.70 2.01 -1.26 -0.49 115.64 118.20 1sjg s THR 19 Ca -0.12 1.19 0.06 0.00 0.31 0.00 0.00 61.69 63.13 1sjg s THR 19 Cb -0.04 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 1sjg s THR 19 CO 0.06 0.10 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.64 1sjg s PHE 20 N 1.99 1.72 -0.08 4.92 0.08 0.58 -4.92 117.98 122.26 1sjg s PHE 20 Ca 0.29 -0.69 -0.04 0.00 0.12 0.00 0.00 56.93 56.60 1sjg s PHE 20 Cb -0.16 -0.90 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 1sjg s PHE 20 CO 0.10 0.24 0.11 -2.00 -0.10 0.00 0.00 175.22 173.57 1sjg s GLU 21 N -3.72 3.30 0.74 0.44 2.12 -1.26 -0.19 118.70 120.13 1sjg s GLU 21 Ca 0.25 -0.26 -0.08 0.00 0.36 0.00 0.00 54.97 55.24 1sjg s GLU 21 Cb 0.02 -3.05 0.07 0.00 0.26 0.00 0.00 34.13 31.43 1sjg s GLU 21 CO 0.08 0.73 1.07 0.95 -0.54 0.00 0.00 175.26 177.55 1sjg s THR 22 N -1.06 2.19 -0.47 -1.70 -4.23 0.13 -4.91 115.64 105.58 1sjg s THR 22 Ca 0.17 -0.20 0.19 0.00 -1.18 0.00 0.00 61.69 60.67 1sjg s THR 22 Cb -0.12 -2.99 0.19 0.00 1.34 0.00 0.00 72.50 70.92 1sjg s THR 22 CO 0.07 0.00 1.57 -1.20 -0.54 0.00 0.00 174.62 174.52 1sjg n SER 23 N -3.06 0.47 0.01 3.99 7.64 -1.26 -1.29 113.62 120.12 1sjg n SER 23 Ca 0.09 0.67 0.11 0.00 1.01 0.00 0.00 58.87 60.75 1sjg n SER 23 Cb 0.61 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1sjg n SER 23 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1sjg n ASP 24 N -2.08 0.65 0.00 6.43 2.03 -1.26 -4.96 116.55 117.36 1sjg n ASP 24 Ca 0.00 -0.40 0.00 0.00 0.52 0.00 0.00 54.79 54.91 1sjg n ASP 24 Cb 0.10 0.87 0.00 0.00 -0.72 0.00 0.00 41.12 41.37 1sjg n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sjg n GLY 25 N 1.41 0.98 3.85 0.27 0.00 -0.41 -5.09 105.19 106.19 1sjg n GLY 25 Ca 0.02 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1sjg n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sjg s THR 26 N -2.00 5.30 -0.01 2.61 2.01 -1.26 -4.81 115.64 117.49 1sjg s THR 26 Ca 0.00 0.48 -0.20 0.00 0.31 0.00 0.00 61.69 62.29 1sjg s THR 26 Cb 0.00 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 1sjg s THR 26 CO 0.00 0.58 0.56 -1.83 -0.69 0.00 0.00 174.62 173.25 1sjg s GLU 27 N -0.92 4.27 0.02 4.92 1.03 -1.26 0.17 118.70 126.93 1sjg s GLU 27 Ca 0.18 0.67 0.02 0.00 0.03 0.00 0.00 54.97 55.88 1sjg s GLU 27 Cb -0.14 -3.33 -0.01 0.00 -0.80 0.00 0.00 34.13 29.85 1sjg s GLU 27 CO 0.08 0.41 -0.08 0.08 -1.33 0.00 0.00 175.26 174.41 1sjg s VAL 28 N -0.29 0.58 -0.38 1.83 1.01 0.73 -0.05 120.40 123.84 1sjg s VAL 28 Ca 0.30 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 1sjg s VAL 28 Cb -0.18 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.67 1sjg s VAL 28 CO 0.16 -0.09 0.21 -0.22 0.00 0.00 0.00 175.10 175.17 1sjg s LEU 29 N -0.84 4.74 -0.25 3.92 0.20 0.72 -0.31 118.68 126.87 1sjg s LEU 29 Ca -0.03 -0.98 -0.10 0.00 0.69 0.00 0.00 54.13 53.72 1sjg s LEU 29 Cb -0.06 -2.03 -0.05 0.00 -0.43 0.00 0.00 46.19 43.62 1sjg s LEU 29 CO 0.00 -0.39 0.15 -0.63 -0.29 0.00 0.00 176.35 175.19 1sjg s ILE 30 N 1.56 5.13 -0.18 6.68 1.09 0.36 -2.70 121.20 133.14 1sjg s ILE 30 Ca 0.02 0.10 -0.03 0.00 -1.10 0.00 0.00 60.65 59.65 1sjg s ILE 30 Cb -0.19 -3.40 -0.01 0.00 -1.06 0.00 0.00 42.46 37.79 1sjg s ILE 30 CO 0.07 0.33 -0.07 0.54 -0.10 0.00 0.00 174.94 175.71 1sjg s VAL 31 N 1.29 3.39 -0.50 2.92 0.11 0.52 -1.11 120.40 127.03 1sjg s VAL 31 Ca 0.07 -0.52 -0.14 0.00 -2.93 0.00 0.00 61.98 58.46 1sjg s VAL 31 Cb -0.14 -2.49 0.11 0.00 -1.53 0.00 0.00 36.38 32.32 1sjg s VAL 31 CO 0.06 0.47 0.42 0.21 -3.33 0.00 0.00 175.10 172.93 1sjg s ASN 32 N 0.85 6.04 -0.11 3.54 2.47 -0.19 -0.28 114.94 127.26 1sjg s ASN 32 Ca -0.02 -1.65 -0.05 0.00 0.42 0.00 0.00 52.86 51.57 1sjg s ASN 32 Cb -0.15 -2.15 -0.04 0.00 -1.45 0.00 0.00 41.25 37.47 1sjg s ASN 32 CO 0.01 -0.74 0.07 -0.44 -3.72 0.00 0.00 177.10 172.28 1sjg s SER 33 N 3.00 5.78 0.08 -4.21 0.01 -1.12 -0.18 113.70 117.06 1sjg s SER 33 Ca 0.04 0.28 -0.11 0.00 1.31 0.00 0.00 55.95 57.47 1sjg s SER 33 Cb -0.27 -1.78 -0.21 0.00 0.21 0.00 0.00 66.02 63.97 1sjg s SER 33 CO 0.03 0.37 1.19 -0.08 0.41 0.00 0.00 173.24 175.17 1sjg h GLU 34 N 5.22 0.59 0.03 12.44 4.81 -1.94 -2.67 114.58 133.06 1sjg h GLU 34 Ca -0.51 -0.69 -0.33 0.00 -0.13 0.00 0.00 59.36 57.71 1sjg h GLU 34 Cb 1.21 0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.75 1sjg h GLU 34 CO 0.57 1.28 -1.80 0.39 -0.73 0.00 0.00 179.01 178.72 1sjg n GLU 35 N -3.79 0.62 0.05 1.92 1.02 -1.26 -4.23 120.64 114.97 1sjg n GLU 35 Ca -0.11 0.40 0.13 0.00 -0.02 0.00 0.00 57.16 57.57 1sjg n GLU 35 Cb 0.91 -1.67 0.51 0.00 -0.02 0.00 0.00 31.44 31.17 1sjg n GLU 35 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1sjg n HIS 36 N -4.08 0.45 0.00 -0.32 -0.00 -1.26 -5.02 115.22 104.99 1sjg n HIS 36 Ca -0.38 0.13 0.00 0.00 0.46 0.00 0.00 57.72 57.93 1sjg n HIS 36 Cb 0.83 -0.72 0.00 0.00 -0.12 0.00 0.00 29.99 29.99 1sjg n HIS 36 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1sjg n GLY 37 N 1.37 -1.23 3.68 1.57 0.00 -1.01 -4.84 105.19 104.73 1sjg n GLY 37 Ca 0.06 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1sjg n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjg s VAL 38 N -3.04 3.99 -0.02 1.61 0.11 -1.21 -2.79 120.40 119.06 1sjg s VAL 38 Ca 0.00 1.32 0.05 0.00 -2.93 0.00 0.00 61.98 60.42 1sjg s VAL 38 Cb 0.00 -3.85 -0.01 0.00 -1.53 0.00 0.00 36.38 30.99 1sjg s VAL 38 CO 0.00 -0.03 -0.16 -0.54 -3.33 0.00 0.00 175.10 171.04 1sjg s LYS 39 N 2.62 1.45 -0.22 1.54 -0.14 0.62 -4.90 119.74 120.71 1sjg s LYS 39 Ca 0.60 -0.59 0.01 0.00 -1.36 0.00 0.00 55.97 54.63 1sjg s LYS 39 Cb -0.27 -1.36 0.05 0.00 -1.68 0.00 0.00 37.83 34.57 1sjg s LYS 39 CO 0.23 0.32 -0.08 0.00 -0.76 0.00 0.00 175.35 175.06 1sjg s ALA 40 N -0.25 2.01 0.03 5.17 0.00 -1.26 -0.35 121.76 127.10 1sjg s ALA 40 Ca 0.03 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1sjg s ALA 40 Cb -0.08 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 1sjg s ALA 40 CO 0.00 -1.00 -0.06 1.52 0.00 0.00 0.00 175.76 176.22 1sjg s TYR 41 N 1.38 0.52 0.22 0.00 -0.85 -1.10 -0.14 117.35 117.38 1sjg s TYR 41 Ca -0.04 -0.38 -0.30 0.00 -0.52 0.00 0.00 57.07 55.83 1sjg s TYR 41 Cb -0.18 -0.32 -0.15 0.00 0.38 0.00 0.00 41.96 41.69 1sjg s TYR 41 CO -0.07 -0.08 0.97 0.00 -1.52 0.00 0.00 175.55 174.86 1sjg n GLN 42 N 1.93 1.00 -2.71 -3.49 10.64 -1.01 -0.20 117.38 123.54 1sjg n GLN 42 Ca -0.20 0.35 -0.42 0.00 -1.83 0.00 0.00 57.00 54.90 1sjg n GLN 42 Cb 0.56 -1.70 -0.03 0.00 -0.86 0.00 0.00 30.24 28.20 1sjg n GLN 42 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1sjg s ALA 43 N -0.72 2.96 0.28 2.61 0.00 0.92 -4.47 121.76 123.35 1sjg s ALA 43 Ca 0.66 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1sjg s ALA 43 Cb -0.81 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 18.29 1sjg s ALA 43 CO 0.56 -2.94 0.00 0.00 0.00 0.00 0.00 175.76 173.39 1sjg n MET 44 N 8.42 -2.37 -3.21 0.00 0.00 -1.26 -4.75 117.12 113.95 1sjg n MET 44 Ca 0.00 1.57 -0.41 0.00 0.00 0.00 0.00 57.70 58.87 1sjg n MET 44 Cb 0.47 -2.89 -0.07 0.00 0.00 0.00 0.00 33.22 30.73 1sjg n MET 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sjg n PRO 46 N 5.74 1.46 -0.06 0.00 -0.04 -1.26 -4.12 135.00 136.71 1sjg n PRO 46 Ca -0.04 -0.93 -0.03 0.00 -0.04 0.00 0.00 63.50 62.46 1sjg n PRO 46 Cb 0.49 -1.37 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 1sjg n PRO 46 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1sjg h HIS 47 N 1.02 0.00 -3.64 0.54 3.86 -1.94 -3.43 115.15 111.56 1sjg h HIS 47 Ca 0.18 0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.71 1sjg h HIS 47 Cb 1.11 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.35 1sjg h HIS 47 CO 0.55 0.04 -0.57 -0.65 0.86 0.00 0.00 177.93 178.16 1sjg s GLN 48 N -1.91 3.25 -1.16 2.45 -1.52 -1.26 -5.01 119.66 114.50 1sjg s GLN 48 Ca -0.08 -0.77 -0.21 0.00 -1.95 0.00 0.00 55.36 52.35 1sjg s GLN 48 Cb 0.01 -3.54 -0.00 0.00 -0.22 0.00 0.00 33.01 29.26 1sjg s GLN 48 CO 0.13 -0.44 1.79 -1.83 -0.25 0.00 0.00 175.29 174.69 1sjg s GLU 49 N 1.59 3.22 0.17 2.91 1.03 -1.26 -4.70 118.70 121.65 1sjg s GLU 49 Ca 0.04 -1.35 -0.05 0.00 0.03 0.00 0.00 54.97 53.64 1sjg s GLU 49 Cb -0.17 -5.35 0.04 0.00 -0.80 0.00 0.00 34.13 27.85 1sjg s GLU 49 CO 0.05 -2.99 1.45 0.97 -1.33 0.00 0.00 175.26 173.41 1sjg h ILE 50 N 6.19 1.32 -5.30 1.83 2.10 -1.95 -3.48 117.51 118.22 1sjg h ILE 50 Ca 0.28 -1.88 -0.01 0.00 1.08 0.00 0.00 64.86 64.33 1sjg h ILE 50 Cb 0.93 1.85 0.01 0.00 -1.09 0.00 0.00 36.82 38.52 1sjg h ILE 50 CO 1.34 0.59 -0.04 -0.11 -1.08 0.00 0.00 178.15 178.85 1sjg n LEU 51 N -3.94 -6.61 0.22 2.19 -0.00 -1.26 -4.93 117.00 102.68 1sjg n LEU 51 Ca -0.04 -0.10 0.13 0.00 -0.00 0.00 0.00 56.01 56.00 1sjg n LEU 51 Cb 0.65 -3.24 0.32 0.00 -0.00 0.00 0.00 43.42 41.14 1sjg n LEU 51 CO 0.49 -1.03 0.86 0.17 -0.00 0.00 0.00 177.39 177.87 1sjg h LEU 52 N 0.37 0.00 -2.16 -1.96 -0.00 -1.90 -3.40 115.31 106.26 1sjg h LEU 52 Ca -0.03 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.90 1sjg h LEU 52 Cb 1.02 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.67 1sjg h LEU 52 CO 0.30 0.00 0.29 0.77 -0.00 0.00 0.00 178.44 179.80 1sjg h SER 53 N 0.00 0.00 0.72 0.17 4.64 -1.91 0.37 113.55 117.53 1sjg h SER 53 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sjg h SER 53 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1sjg h SER 53 CO 0.00 0.00 -0.21 1.21 -0.87 0.00 0.00 176.83 176.96 1sjg n GLU 54 N -3.38 0.10 -2.87 4.77 2.13 -1.26 -4.31 120.64 115.82 1sjg n GLU 54 Ca 0.01 -0.03 -0.02 0.00 0.66 0.00 0.00 57.16 57.78 1sjg n GLU 54 Cb 0.40 -1.50 0.01 0.00 0.27 0.00 0.00 31.44 30.61 1sjg n GLU 54 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1sjg s GLY 55 N -2.92 -1.35 0.12 8.31 0.00 0.13 -5.02 107.32 106.58 1sjg s GLY 55 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.82 1sjg s GLY 55 CO 0.59 3.77 0.00 1.44 0.00 0.00 0.00 173.10 178.90 1sjg n SER 56 N 3.33 0.59 -4.56 1.64 7.64 -1.08 -4.65 113.62 116.54 1sjg n SER 56 Ca 0.15 0.18 -0.42 0.00 1.01 0.00 0.00 58.87 59.79 1sjg n SER 56 Cb 0.58 -0.10 -0.07 0.00 -1.01 0.00 0.00 64.21 63.61 1sjg n SER 56 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1sjg s TYR 57 N -2.00 3.13 -0.30 1.43 5.04 -1.25 -0.32 117.35 123.08 1sjg s TYR 57 Ca 0.00 0.24 0.03 0.00 -2.44 0.00 0.00 57.07 54.90 1sjg s TYR 57 Cb 0.00 -3.18 0.08 0.00 0.35 0.00 0.00 41.96 39.20 1sjg s TYR 57 CO 0.00 -0.68 -0.02 -2.00 -1.34 0.00 0.00 175.55 171.50 1sjg s GLU 58 N 2.73 1.93 0.00 4.97 -6.30 -0.26 -4.88 118.70 116.89 1sjg s GLU 58 Ca 0.24 -1.58 0.00 0.00 -2.50 0.00 0.00 54.97 51.13 1sjg s GLU 58 Cb -0.14 -3.07 0.00 0.00 0.00 0.00 0.00 34.13 30.92 1sjg s GLU 58 CO 0.16 -0.74 0.00 0.41 0.02 0.00 0.00 175.26 175.10 1sjg n GLY 59 N 4.38 1.04 0.00 -1.50 0.00 -1.26 -2.05 105.19 105.80 1sjg n GLY 59 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1sjg n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjg n GLY 60 N 0.00 0.29 3.84 -0.02 0.00 -1.26 -4.95 105.19 103.09 1sjg n GLY 60 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1sjg n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sjg s VAL 61 N 0.00 4.99 -0.18 1.61 1.01 -0.87 -1.24 120.40 125.72 1sjg s VAL 61 Ca 0.00 0.80 -0.05 0.00 0.00 0.00 0.00 61.98 62.73 1sjg s VAL 61 Cb 0.00 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1sjg s VAL 61 CO 0.00 0.48 0.01 -0.63 0.00 0.00 0.00 175.10 174.97 1sjg s ILE 62 N -1.19 4.26 -0.15 2.22 -1.09 0.21 -1.10 121.20 124.36 1sjg s ILE 62 Ca 0.28 -0.22 -0.24 0.00 -2.23 0.00 0.00 60.65 58.24 1sjg s ILE 62 Cb -0.16 -2.90 -0.02 0.00 -1.58 0.00 0.00 42.46 37.79 1sjg s ILE 62 CO 0.16 0.46 0.76 -0.89 -1.23 0.00 0.00 174.94 174.20 1sjg s THR 63 N 0.56 4.95 0.18 2.92 2.01 0.56 -1.04 115.64 125.78 1sjg s THR 63 Ca 0.00 1.51 0.05 0.00 0.31 0.00 0.00 61.69 63.56 1sjg s THR 63 Cb -0.14 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1sjg s THR 63 CO 0.02 0.10 0.14 0.00 -0.69 0.00 0.00 174.62 174.19 1sjg s ARG 65 N -3.20 3.91 0.00 0.00 3.52 -1.26 -4.62 118.95 117.30 1sjg s ARG 65 Ca 0.31 0.24 0.00 0.00 -0.13 0.00 0.00 55.73 56.15 1sjg s ARG 65 Cb -0.10 -3.72 0.00 0.00 -1.56 0.00 0.00 34.95 29.57 1sjg s ARG 65 CO 0.23 -0.52 0.00 0.00 -0.81 0.00 0.00 175.30 174.21 1sjg n ALA 66 N 5.76 0.00 -2.19 6.12 0.00 -1.26 -4.89 120.51 124.05 1sjg n ALA 66 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 1sjg n ALA 66 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 1sjg n ALA 66 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1sjg s HIS 67 N 0.00 2.24 0.00 0.00 3.76 -1.26 -4.74 115.29 115.29 1sjg s HIS 67 Ca 0.00 0.62 0.00 0.00 -0.15 0.00 0.00 55.06 55.53 1sjg s HIS 67 Cb 0.00 -3.98 0.00 0.00 1.11 0.00 0.00 32.58 29.71 1sjg s HIS 67 CO 0.00 -2.63 0.00 -0.11 -0.85 0.00 0.00 174.74 171.15 1sjg n LEU 68 N 8.30 0.00 0.00 0.89 -0.00 -1.26 -4.39 117.00 120.54 1sjg n LEU 68 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.19 1sjg n LEU 68 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 1sjg n LEU 68 CO 0.64 0.00 0.00 0.79 -0.00 0.00 0.00 177.39 178.82 1sjg n TRP 69 N 0.00 -0.77 -3.94 1.96 8.01 -1.26 -5.10 117.44 116.34 1sjg n TRP 69 Ca 0.00 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 56.04 1sjg n TRP 69 Cb 0.00 0.15 -0.15 0.00 -2.01 0.00 0.00 31.31 29.30 1sjg n TRP 69 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 1sjg s THR 70 N -1.47 0.14 -0.05 -0.99 -4.23 -1.26 -3.73 115.64 104.04 1sjg s THR 70 Ca 0.00 0.01 0.05 0.00 -1.18 0.00 0.00 61.69 60.57 1sjg s THR 70 Cb 0.00 -0.19 -0.02 0.00 1.34 0.00 0.00 72.50 73.63 1sjg s THR 70 CO 0.00 0.09 -0.18 0.12 -0.54 0.00 0.00 174.62 174.11 1sjg s PHE 71 N 0.49 2.59 -0.18 3.99 5.36 -0.20 -0.82 117.98 129.21 1sjg s PHE 71 Ca -0.05 -0.34 0.01 0.00 -0.96 0.00 0.00 56.93 55.60 1sjg s PHE 71 Cb -0.07 -1.61 0.03 0.00 -0.34 0.00 0.00 43.02 41.03 1sjg s PHE 71 CO -0.01 0.05 -0.14 1.21 -1.46 0.00 0.00 175.22 174.87 1sjg s ASN 72 N -0.54 3.14 0.10 6.13 2.47 -1.23 0.66 114.94 125.67 1sjg s ASN 72 Ca 0.07 -0.72 -0.01 0.00 0.42 0.00 0.00 52.86 52.62 1sjg s ASN 72 Cb -0.11 -1.28 -0.23 0.00 -1.45 0.00 0.00 41.25 38.18 1sjg s ASN 72 CO 0.01 -0.09 1.21 -0.78 -3.72 0.00 0.00 177.10 173.73 1sjg h ASP 73 N 7.99 0.30 -0.38 -4.21 3.58 -1.46 -2.26 116.42 119.98 1sjg h ASP 73 Ca -0.34 -0.31 0.08 0.00 0.42 0.00 0.00 57.03 56.87 1sjg h ASP 73 Cb 1.12 -0.10 -0.09 0.00 1.72 0.00 0.00 39.33 41.98 1sjg h ASP 73 CO 0.52 1.22 -0.33 1.23 -2.88 0.00 0.00 179.24 179.01 1sjg h GLY 74 N 1.97 -0.27 0.83 -0.78 0.00 -1.68 -2.72 103.07 100.42 1sjg h GLY 74 Ca -0.09 0.42 -0.34 0.00 0.00 0.00 0.00 47.33 47.32 1sjg h GLY 74 CO 0.18 -0.21 -1.83 -0.84 0.00 0.00 0.00 176.54 173.84 1sjg h THR 75 N -0.27 0.79 0.00 4.70 2.02 -1.88 -3.48 112.91 114.79 1sjg h THR 75 Ca 0.17 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.83 1sjg h THR 75 Cb 0.54 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 1sjg h THR 75 CO -0.53 0.78 0.00 0.61 0.37 0.00 0.00 175.52 176.76 1sjg n GLY 76 N 1.82 1.83 3.76 2.16 0.00 -0.85 -5.07 105.19 108.84 1sjg n GLY 76 Ca -0.25 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 1sjg n GLY 76 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1sjg s HIS 77 N -1.11 3.87 0.12 1.61 5.65 -1.23 -0.64 115.29 123.57 1sjg s HIS 77 Ca 0.00 1.69 -0.14 0.00 0.25 0.00 0.00 55.06 56.85 1sjg s HIS 77 Cb 0.00 -2.87 -0.07 0.00 -1.18 0.00 0.00 32.58 28.46 1sjg s HIS 77 CO 0.00 0.40 0.53 0.20 -0.65 0.00 0.00 174.74 175.22 1sjg s GLY 78 N -0.74 2.47 0.03 1.59 0.00 -0.98 -3.55 107.32 106.14 1sjg s GLY 78 Ca 0.39 -0.15 -0.18 0.00 0.00 0.00 0.00 44.72 44.79 1sjg s GLY 78 CO 0.27 0.14 1.11 -2.22 0.00 0.00 0.00 173.10 172.40 1sjg h ILE 79 N 2.92 1.37 -3.25 0.90 5.03 -1.82 -3.27 117.51 119.39 1sjg h ILE 79 Ca -0.49 -2.23 -0.45 0.00 -0.12 0.00 0.00 64.86 61.58 1sjg h ILE 79 Cb 1.20 2.61 -0.38 0.00 -3.03 0.00 0.00 36.82 37.21 1sjg h ILE 79 CO 0.65 0.66 -0.77 0.54 -0.68 0.00 0.00 178.15 178.56 1sjg s ASN 80 N -7.03 1.74 0.03 1.72 4.22 -0.00 -1.80 114.94 113.81 1sjg s ASN 80 Ca -0.12 -0.17 -0.29 0.00 -2.14 0.00 0.00 52.86 50.15 1sjg s ASN 80 Cb 0.05 -0.46 -0.04 0.00 1.28 0.00 0.00 41.25 42.07 1sjg s ASN 80 CO 0.87 -0.20 0.93 -2.16 -2.04 0.00 0.00 177.10 174.49 1sjg s PRO 81 N 1.96 4.58 0.14 3.55 0.05 -1.26 -4.18 135.00 139.84 1sjg s PRO 81 Ca 0.04 1.34 0.21 0.00 0.05 0.00 0.00 61.00 62.64 1sjg s PRO 81 Cb -0.13 -3.43 0.85 0.00 0.05 0.00 0.00 34.50 31.85 1sjg s PRO 81 CO -0.06 0.07 1.64 -0.40 0.05 0.00 0.00 177.00 178.31 1sjg n ASP 82 N 3.46 0.40 0.20 6.66 5.68 -0.75 -2.31 116.55 129.90 1sjg n ASP 82 Ca 0.03 0.59 0.15 0.00 -0.50 0.00 0.00 54.79 55.06 1sjg n ASP 82 Cb 0.50 -0.68 0.56 0.00 -1.14 0.00 0.00 41.12 40.37 1sjg n ASP 82 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1sjg h ASP 83 N 0.00 0.00 -5.49 -1.12 3.32 -1.87 -3.46 116.42 107.80 1sjg h ASP 83 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 1sjg h ASP 83 Cb 0.36 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.78 1sjg h ASP 83 CO 0.00 0.00 -0.50 0.00 -1.72 0.00 0.00 179.24 177.02 1sjg s LEU 86 N -3.47 4.05 -0.28 0.00 -0.00 0.19 -4.55 118.68 114.62 1sjg s LEU 86 Ca 0.32 0.12 -0.29 0.00 -0.00 0.00 0.00 54.13 54.28 1sjg s LEU 86 Cb 0.04 -2.06 -0.01 0.00 -0.00 0.00 0.00 46.19 44.15 1sjg s LEU 86 CO 0.17 0.11 1.47 0.00 -0.00 0.00 0.00 176.35 178.10 1sjg s ALA 87 N 0.76 3.27 -0.31 1.48 0.00 -1.26 -4.86 121.76 120.84 1sjg s ALA 87 Ca 0.07 0.23 -0.23 0.00 0.00 0.00 0.00 51.96 52.03 1sjg s ALA 87 Cb -0.13 -3.84 -0.00 0.00 0.00 0.00 0.00 23.12 19.16 1sjg s ALA 87 CO 0.02 -1.95 0.76 -2.00 0.00 0.00 0.00 175.76 172.59 1sjg s GLU 88 N 4.53 3.93 0.19 0.00 2.12 -1.26 -2.40 118.70 125.80 1sjg s GLU 88 Ca 0.64 0.51 -0.03 0.00 0.36 0.00 0.00 54.97 56.45 1sjg s GLU 88 Cb -0.20 -3.74 -0.05 0.00 0.26 0.00 0.00 34.13 30.40 1sjg s GLU 88 CO 0.27 -0.68 0.40 0.71 -0.54 0.00 0.00 175.26 175.42 1sjg s TYR 89 N 2.91 3.48 -0.09 5.30 2.02 0.79 -5.00 117.35 126.77 1sjg s TYR 89 Ca 0.31 0.47 -0.30 0.00 -0.37 0.00 0.00 57.07 57.19 1sjg s TYR 89 Cb -0.14 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.43 1sjg s TYR 89 CO 0.13 0.38 1.47 -2.14 -1.57 0.00 0.00 175.55 173.81 1sjg s PRO 90 N -3.06 4.21 -0.03 -1.71 0.02 -1.25 -4.44 135.00 128.75 1sjg s PRO 90 Ca 0.40 1.95 0.07 0.00 0.02 0.00 0.00 61.00 63.44 1sjg s PRO 90 Cb -0.11 -3.85 -0.01 0.00 0.02 0.00 0.00 34.50 30.54 1sjg s PRO 90 CO 0.27 -0.76 -0.23 0.54 -0.33 0.00 0.00 177.00 176.49 1sjg s VAL 91 N 3.64 1.87 -0.11 3.83 0.11 -1.26 -0.42 120.40 128.06 1sjg s VAL 91 Ca 0.65 -1.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.72 1sjg s VAL 91 Cb -0.28 -1.57 -0.01 0.00 -1.53 0.00 0.00 36.38 32.99 1sjg s VAL 91 CO 0.23 0.53 -0.15 -0.70 -3.33 0.00 0.00 175.10 171.67 1sjg s GLU 92 N -0.39 3.14 -0.23 1.54 2.56 0.16 -4.99 118.70 120.48 1sjg s GLU 92 Ca 0.04 -0.73 -0.07 0.00 0.00 0.00 0.00 54.97 54.22 1sjg s GLU 92 Cb -0.11 -2.51 -0.03 0.00 2.00 0.00 0.00 34.13 33.48 1sjg s GLU 92 CO 0.01 0.29 0.05 0.54 -0.56 0.00 0.00 175.26 175.59 1sjg s VAL 93 N 0.13 4.26 0.03 3.70 0.11 -1.26 -1.50 120.40 125.87 1sjg s VAL 93 Ca -0.08 -0.20 0.06 0.00 -2.93 0.00 0.00 61.98 58.84 1sjg s VAL 93 Cb -0.15 -2.97 -0.02 0.00 -1.53 0.00 0.00 36.38 31.71 1sjg s VAL 93 CO 0.05 0.37 -0.19 -0.75 -3.33 0.00 0.00 175.10 171.26 1sjg s LYS 94 N 1.33 1.33 0.16 1.54 2.36 -0.83 -5.03 119.74 120.60 1sjg s LYS 94 Ca 0.05 -0.84 -0.11 0.00 -2.55 0.00 0.00 55.97 52.51 1sjg s LYS 94 Cb -0.15 -1.39 0.18 0.00 -1.05 0.00 0.00 37.83 35.42 1sjg s LYS 94 CO 0.03 0.36 1.06 0.41 1.55 0.00 0.00 175.35 178.75 1sjg n GLY 95 N 2.03 -1.38 0.24 5.54 0.00 -1.26 -1.30 105.19 109.07 1sjg n GLY 95 Ca -0.17 0.76 0.03 0.00 0.00 0.00 0.00 46.02 46.64 1sjg n GLY 95 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sjg n ASP 96 N -5.01 1.45 -3.76 1.61 8.00 -1.26 -4.27 116.55 113.31 1sjg n ASP 96 Ca 0.07 -1.23 -0.12 0.00 0.71 0.00 0.00 54.79 54.22 1sjg n ASP 96 Cb 0.28 0.07 -0.12 0.00 -0.02 0.00 0.00 41.12 41.33 1sjg n ASP 96 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1sjg s ASP 97 N -0.62 -0.27 -0.11 -2.24 1.01 -0.42 -3.55 116.67 110.47 1sjg s ASP 97 Ca 0.07 0.53 0.02 0.00 0.71 0.00 0.00 52.55 53.88 1sjg s ASP 97 Cb 0.05 0.47 -0.01 0.00 1.01 0.00 0.00 42.92 44.45 1sjg s ASP 97 CO 0.09 -0.13 -0.20 -0.63 0.21 0.00 0.00 175.17 174.52 1sjg s ILE 98 N 0.72 2.45 -0.03 0.77 1.01 0.92 -1.96 121.20 125.08 1sjg s ILE 98 Ca -0.05 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.76 1sjg s ILE 98 Cb -0.06 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1sjg s ILE 98 CO -0.04 0.55 -0.13 -0.31 0.00 0.00 0.00 174.94 175.00 1sjg s TYR 99 N 0.37 2.72 0.02 3.97 2.02 -0.56 -1.98 117.35 123.90 1sjg s TYR 99 Ca -0.15 -0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1sjg s TYR 99 Cb -0.17 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 39.77 1sjg s TYR 99 CO 0.07 0.24 -0.03 0.54 -1.57 0.00 0.00 175.55 174.80 1sjg s VAL 100 N -0.81 0.11 -0.31 0.71 0.11 0.49 0.37 120.40 121.07 1sjg s VAL 100 Ca 0.13 -0.73 -0.09 0.00 -2.93 0.00 0.00 61.98 58.35 1sjg s VAL 100 Cb -0.11 -0.23 -0.00 0.00 -1.53 0.00 0.00 36.38 34.51 1sjg s VAL 100 CO 0.02 -0.39 0.15 -0.44 -3.33 0.00 0.00 175.10 171.11 1sjg s SER 101 N -1.17 5.51 -0.02 3.54 0.01 0.43 -0.03 113.70 121.98 1sjg s SER 101 Ca -0.12 -0.57 0.21 0.00 1.31 0.00 0.00 55.95 56.77 1sjg s SER 101 Cb -0.08 -1.99 -0.31 0.00 0.21 0.00 0.00 66.02 63.85 1sjg s SER 101 CO -0.01 -0.21 0.52 0.41 0.41 0.00 0.00 173.24 174.37 1sjg n THR 102 N 4.97 0.00 -2.66 1.44 -1.04 -1.26 -3.76 114.28 111.96 1sjg n THR 102 Ca -0.14 -0.40 -0.43 0.00 -2.04 0.00 0.00 64.05 61.04 1sjg n THR 102 Cb 0.49 0.18 -0.03 0.00 -1.82 0.00 0.00 70.33 69.15 1sjg n THR 102 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1sjg s LYS 103 N -3.36 3.58 0.00 -2.82 2.47 -1.26 -3.40 119.74 114.95 1sjg s LYS 103 Ca -0.05 0.30 0.00 0.00 -1.56 0.00 0.00 55.97 54.65 1sjg s LYS 103 Cb 0.14 -3.96 0.00 0.00 -1.46 0.00 0.00 37.83 32.55 1sjg s LYS 103 CO 0.86 -1.46 0.00 0.41 0.16 0.00 0.00 175.35 175.32 1sjg n GLY 104 N 4.96 2.49 3.22 5.54 0.00 -1.26 -4.88 105.19 115.26 1sjg n GLY 104 Ca 0.09 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 1sjg n GLY 104 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sjg s ILE 105 N -0.18 2.22 -0.09 -0.61 1.01 -1.22 -5.10 121.20 117.23 1sjg s ILE 105 Ca 0.00 -0.94 -0.25 0.00 0.00 0.00 0.00 60.65 59.46 1sjg s ILE 105 Cb 0.00 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 1sjg s ILE 105 CO 0.00 0.55 0.78 -0.76 0.00 0.00 0.00 174.94 175.50 1sjg s LEU 106 N 0.57 4.28 0.60 2.97 1.02 -1.26 -4.87 118.68 121.99 1sjg s LEU 106 Ca -0.12 1.25 -0.19 0.00 0.02 0.00 0.00 54.13 55.08 1sjg s LEU 106 Cb -0.17 -3.19 -0.03 0.00 0.02 0.00 0.00 46.19 42.82 1sjg s LEU 106 CO 0.04 -0.22 1.30 -2.84 0.02 0.00 0.00 176.35 174.64 1sjg s PRO 107 N 1.23 2.82 0.75 1.29 0.02 -1.26 -4.89 135.00 134.96 1sjg s PRO 107 Ca 0.40 2.07 -0.12 0.00 0.02 0.00 0.00 61.00 63.37 1sjg s PRO 107 Cb -0.18 -1.99 0.04 0.00 0.02 0.00 0.00 34.50 32.39 1sjg s PRO 107 CO 0.18 -1.39 1.13 -0.80 -0.33 0.00 0.00 177.00 175.79 1sjg s ASN 108 N -1.30 5.05 -1.33 2.53 0.01 -1.26 -4.89 114.94 113.75 1sjg s ASN 108 Ca 0.78 0.97 -0.17 0.00 -0.71 0.00 0.00 52.86 53.73 1sjg s ASN 108 Cb -0.37 -1.64 0.03 0.00 0.41 0.00 0.00 41.25 39.68 1sjg s ASN 108 CO 0.41 -1.58 2.01 0.29 -1.51 0.00 0.00 177.10 176.72 1sjg n LYS 109 N -3.13 2.78 -0.00 -0.60 5.02 -1.26 -3.80 118.16 117.17 1sjg n LYS 109 Ca 0.07 -2.77 -0.02 0.00 -2.02 0.00 0.00 58.31 53.58 1sjg n LYS 109 Cb 0.59 -3.36 -0.01 0.00 -0.02 0.00 0.00 35.03 32.24 1sjg n LYS 109 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sjg n ALA 110 N 7.52 1.95 -3.70 7.82 0.00 -1.26 -4.76 120.51 128.09 1sjg n ALA 110 Ca 0.50 -0.20 -0.20 0.00 0.00 0.00 0.00 53.44 53.55 1sjg n ALA 110 Cb 0.42 0.07 -0.18 0.00 0.00 0.00 0.00 19.45 19.77 1sjg n ALA 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1sjg s HIS 111 N -1.60 0.14 0.00 0.00 2.46 -1.25 -4.46 115.29 110.59 1sjg s HIS 111 Ca -0.05 0.18 0.00 0.00 0.47 0.00 0.00 55.06 55.66 1sjg s HIS 111 Cb 0.01 -0.49 0.00 0.00 -0.13 0.00 0.00 32.58 31.97 1sjg s HIS 111 CO 0.08 -0.19 0.00 0.45 -2.47 0.00 0.00 174.74 172.60