#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 1.90 -1.52 6.12 3.41 -1.26 -5.10 113.62 117.17 1sjg n SER 2 Ca 0.00 0.41 -0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1sjg n SER 2 Cb 0.00 -0.87 -0.00 0.00 -0.26 0.00 0.00 64.21 63.08 1sjg n SER 2 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1sjg n PHE 3 N -4.40 -1.57 -4.32 7.33 3.72 -1.26 -5.02 117.46 111.95 1sjg n PHE 3 Ca -0.34 0.93 -0.35 0.00 -0.05 0.00 0.00 57.45 57.64 1sjg n PHE 3 Cb 0.68 -2.55 -0.10 0.00 -0.94 0.00 0.00 39.48 36.57 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 -1.43 3.22 -0.12 -1.08 0.41 0.15 -4.81 118.70 115.03 1sjg s GLU 4 Ca -0.02 -0.40 -0.29 0.00 -0.41 0.00 0.00 54.97 53.84 1sjg s GLU 4 Cb 0.00 -2.88 -0.03 0.00 -1.78 0.00 0.00 34.13 29.45 1sjg s GLU 4 CO 0.05 0.59 1.31 0.21 -0.49 0.00 0.00 175.26 176.93 1sjg s LYS 5 N -0.56 4.25 -0.26 1.61 2.20 -1.26 -0.29 119.74 125.42 1sjg s LYS 5 Ca 0.10 1.76 -0.14 0.00 -0.36 0.00 0.00 55.97 57.33 1sjg s LYS 5 Cb -0.12 -3.74 -0.15 0.00 -1.51 0.00 0.00 37.83 32.31 1sjg s LYS 5 CO 0.02 -0.67 -0.20 1.51 -0.36 0.00 0.00 175.35 175.65 1sjg n ILE 6 N 5.20 1.54 -3.39 5.43 0.13 -0.87 -4.80 119.36 122.59 1sjg n ILE 6 Ca 0.14 -0.34 -0.04 0.00 -1.10 0.00 0.00 62.75 61.40 1sjg n ILE 6 Cb 0.45 -1.86 0.01 0.00 -0.84 0.00 0.00 39.64 37.40 1sjg n ILE 6 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1sjg s SER 8 N -1.96 1.88 0.65 0.00 0.01 -1.26 -1.29 113.70 111.74 1sjg s SER 8 Ca 0.08 -0.73 0.36 0.00 1.31 0.00 0.00 55.95 56.96 1sjg s SER 8 Cb -0.02 -0.06 1.96 0.00 0.21 0.00 0.00 66.02 68.10 1sjg s SER 8 CO 0.06 -0.11 2.14 0.25 0.41 0.00 0.00 173.24 175.98 1sjg h LEU 9 N 3.84 0.00 -1.73 2.44 5.85 0.55 0.34 115.31 126.60 1sjg h LEU 9 Ca -0.40 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 1sjg h LEU 9 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1sjg h LEU 9 CO 0.46 0.00 -0.03 -0.78 -0.34 0.00 0.00 178.44 177.75 1sjg h ASP 10 N 0.00 0.11 0.00 1.25 3.58 -1.96 -3.24 116.42 116.16 1sjg h ASP 10 Ca 0.02 -0.01 -0.39 0.00 0.42 0.00 0.00 57.03 57.07 1sjg h ASP 10 Cb 0.37 -0.03 -0.07 0.00 1.72 0.00 0.00 39.33 41.32 1sjg h ASP 10 CO -0.00 0.17 -2.47 0.47 -2.88 0.00 0.00 179.24 174.53 1sjg n ASP 11 N -4.42 1.99 -4.42 2.28 8.00 0.10 -4.88 116.55 115.20 1sjg n ASP 11 Ca -0.02 -0.10 -0.38 0.00 0.71 0.00 0.00 54.79 55.00 1sjg n ASP 11 Cb 0.16 -0.44 -0.12 0.00 -0.02 0.00 0.00 41.12 40.70 1sjg n ASP 11 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1sjg s ILE 12 N -2.51 4.50 0.33 0.53 1.10 -0.33 -5.03 121.20 119.79 1sjg s ILE 12 Ca -0.35 -0.47 0.07 0.00 -0.51 0.00 0.00 60.65 59.39 1sjg s ILE 12 Cb 0.09 -3.30 -0.02 0.00 0.15 0.00 0.00 42.46 39.38 1sjg s ILE 12 CO 0.59 0.06 0.38 0.26 -2.11 0.00 0.00 174.94 174.12 1sjg s TRP 13 N 1.59 3.03 0.07 3.50 0.52 -1.25 -4.09 118.94 122.32 1sjg s TRP 13 Ca 0.04 -0.24 -0.31 0.00 0.02 0.00 0.00 56.10 55.61 1sjg s TRP 13 Cb -0.17 -1.87 -0.07 0.00 -1.15 0.00 0.00 33.47 30.21 1sjg s TRP 13 CO 0.06 0.12 1.45 0.54 0.02 0.00 0.00 176.95 179.13 1sjg s VAL 14 N -2.22 3.36 0.00 4.03 0.11 -1.26 -2.17 120.40 122.25 1sjg s VAL 14 Ca 0.42 0.89 0.00 0.00 -2.93 0.00 0.00 61.98 60.36 1sjg s VAL 14 Cb -0.08 -3.57 0.00 0.00 -1.53 0.00 0.00 36.38 31.20 1sjg s VAL 14 CO 0.29 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.70 1sjg n GLY 15 N 3.64 0.68 3.55 6.54 0.00 0.12 -4.94 105.19 114.79 1sjg n GLY 15 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.68 2.00 -0.10 1.61 2.02 -0.92 -4.78 118.70 117.85 1sjg s GLU 16 Ca 0.00 -1.28 -0.05 0.00 0.02 0.00 0.00 54.97 53.66 1sjg s GLU 16 Cb 0.00 -2.13 0.04 0.00 0.10 0.00 0.00 34.13 32.14 1sjg s GLU 16 CO 0.00 0.43 0.23 0.00 0.02 0.00 0.00 175.26 175.95 1sjg s MET 17 N -2.78 0.20 0.01 1.61 0.23 -1.26 -0.48 119.30 116.83 1sjg s MET 17 Ca 0.24 0.49 -0.06 0.00 -1.03 0.00 0.00 55.69 55.32 1sjg s MET 17 Cb -0.09 -0.10 -0.00 0.00 -1.53 0.00 0.00 34.83 33.11 1sjg s MET 17 CO 0.14 -0.15 0.12 -1.21 -2.03 0.00 0.00 175.02 171.89 1sjg s GLU 18 N 1.13 0.48 0.08 3.16 2.02 -0.58 -4.18 118.70 120.82 1sjg s GLU 18 Ca -0.08 -0.46 -0.30 0.00 0.02 0.00 0.00 54.97 54.14 1sjg s GLU 18 Cb -0.10 0.20 -0.06 0.00 0.10 0.00 0.00 34.13 34.27 1sjg s GLU 18 CO -0.07 -0.11 1.18 0.99 0.02 0.00 0.00 175.26 177.26 1sjg s THR 19 N -1.53 4.01 0.02 3.63 2.01 -1.26 -1.06 115.64 121.46 1sjg s THR 19 Ca -0.14 1.49 -0.01 0.00 0.31 0.00 0.00 61.69 63.34 1sjg s THR 19 Cb -0.07 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 1sjg s THR 19 CO 0.01 0.14 -0.00 -0.36 -0.69 0.00 0.00 174.62 173.71 1sjg s PHE 20 N 0.84 0.22 0.04 4.92 0.08 0.34 -4.94 117.98 119.49 1sjg s PHE 20 Ca 0.57 -0.46 0.04 0.00 0.12 0.00 0.00 56.93 57.20 1sjg s PHE 20 Cb -0.29 -0.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.95 1sjg s PHE 20 CO 0.30 -0.20 -0.05 -1.83 -0.10 0.00 0.00 175.22 173.35 1sjg s GLU 21 N -1.42 2.51 0.65 0.44 1.03 -1.26 -0.29 118.70 120.35 1sjg s GLU 21 Ca -0.16 -0.79 -0.08 0.00 0.03 0.00 0.00 54.97 53.97 1sjg s GLU 21 Cb -0.09 -2.50 0.02 0.00 -0.80 0.00 0.00 34.13 30.75 1sjg s GLU 21 CO -0.01 0.57 0.99 0.95 -1.33 0.00 0.00 175.26 176.44 1sjg s THR 22 N -1.13 3.42 -0.45 1.83 -4.23 0.10 -4.90 115.64 110.28 1sjg s THR 22 Ca 0.21 0.15 0.21 0.00 -1.18 0.00 0.00 61.69 61.07 1sjg s THR 22 Cb -0.11 -3.41 0.21 0.00 1.34 0.00 0.00 72.50 70.53 1sjg s THR 22 CO 0.12 -0.47 1.63 -1.20 -0.54 0.00 0.00 174.62 174.15 1sjg n SER 23 N -2.79 0.53 0.03 3.99 7.64 -1.26 -1.13 113.62 120.64 1sjg n SER 23 Ca 0.06 0.68 0.12 0.00 1.01 0.00 0.00 58.87 60.74 1sjg n SER 23 Cb 0.58 -0.77 0.22 0.00 -1.01 0.00 0.00 64.21 63.23 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 -2.14 0.57 0.00 6.43 2.03 -1.26 -4.94 116.55 117.24 1sjg n ASP 24 Ca 0.01 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1sjg n ASP 24 Cb 0.14 0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 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 1.42 1.23 3.70 0.27 0.00 -0.28 -5.08 105.19 106.45 1sjg n GLY 25 Ca 0.04 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 5.31 -0.19 2.61 2.01 -1.25 -4.84 115.64 117.28 1sjg s THR 26 Ca 0.00 0.46 -0.22 0.00 0.31 0.00 0.00 61.69 62.24 1sjg s THR 26 Cb 0.00 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 1sjg s THR 26 CO 0.00 0.36 0.68 -1.61 -0.69 0.00 0.00 174.62 173.35 1sjg s GLU 27 N 0.77 4.23 0.02 4.92 8.01 -1.26 0.02 118.70 135.39 1sjg s GLU 27 Ca 0.14 0.71 0.03 0.00 0.01 0.00 0.00 54.97 55.85 1sjg s GLU 27 Cb -0.13 -3.58 -0.01 0.00 -4.31 0.00 0.00 34.13 26.09 1sjg s GLU 27 CO 0.04 -0.27 -0.09 0.08 0.01 0.00 0.00 175.26 175.03 1sjg s VAL 28 N 2.00 0.66 -0.39 2.63 1.01 0.60 -1.72 120.40 125.20 1sjg s VAL 28 Ca 0.31 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 1sjg s VAL 28 Cb -0.16 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.62 1sjg s VAL 28 CO 0.11 -0.02 0.56 -0.22 0.00 0.00 0.00 175.10 175.53 1sjg s LEU 29 N -0.73 4.44 -0.40 3.92 2.96 0.15 -0.50 118.68 128.52 1sjg s LEU 29 Ca -0.01 -0.17 -0.18 0.00 -0.22 0.00 0.00 54.13 53.55 1sjg s LEU 29 Cb -0.06 -2.64 0.01 0.00 0.50 0.00 0.00 46.19 44.01 1sjg s LEU 29 CO 0.00 -0.60 0.50 -0.63 -1.32 0.00 0.00 176.35 174.30 1sjg s ILE 30 N 2.54 5.01 -0.18 6.68 -1.09 -0.22 -2.58 121.20 131.36 1sjg s ILE 30 Ca 0.20 0.00 -0.02 0.00 -2.23 0.00 0.00 60.65 58.60 1sjg s ILE 30 Cb -0.15 -4.03 -0.01 0.00 -1.58 0.00 0.00 42.46 36.68 1sjg s ILE 30 CO 0.15 -0.37 -0.08 -0.69 -1.23 0.00 0.00 174.94 172.73 1sjg s VAL 31 N 2.36 3.27 -0.44 2.92 1.01 -0.08 -1.52 120.40 127.92 1sjg s VAL 31 Ca 0.16 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 1sjg s VAL 31 Cb -0.16 -2.44 0.08 0.00 0.00 0.00 0.00 36.38 33.86 1sjg s VAL 31 CO 0.15 0.47 0.32 0.21 0.00 0.00 0.00 175.10 176.25 1sjg s ASN 32 N 0.93 5.86 0.23 3.32 2.47 0.36 0.41 114.94 128.53 1sjg s ASN 32 Ca -0.01 -1.43 -0.23 0.00 0.42 0.00 0.00 52.86 51.60 1sjg s ASN 32 Cb -0.15 -2.07 -0.09 0.00 -1.45 0.00 0.00 41.25 37.50 1sjg s ASN 32 CO 0.00 -0.59 0.80 -0.44 -3.72 0.00 0.00 177.10 173.15 1sjg s SER 33 N 2.34 7.23 -0.04 -4.21 0.01 -0.44 0.15 113.70 118.73 1sjg s SER 33 Ca 0.03 1.59 -0.24 0.00 1.31 0.00 0.00 55.95 58.65 1sjg s SER 33 Cb -0.24 -2.48 -0.23 0.00 0.21 0.00 0.00 66.02 63.28 1sjg s SER 33 CO 0.04 0.06 1.06 -0.08 0.41 0.00 0.00 173.24 174.73 1sjg h GLU 34 N 3.61 0.21 0.13 12.44 4.22 -1.82 -2.88 114.58 130.48 1sjg h GLU 34 Ca -0.47 -0.22 -0.23 0.00 0.08 0.00 0.00 59.36 58.52 1sjg h GLU 34 Cb 1.20 0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.51 1sjg h GLU 34 CO 0.65 0.93 -1.13 1.49 -2.18 0.00 0.00 179.01 178.77 1sjg h GLU 35 N -0.41 0.27 -0.22 1.92 4.81 -1.93 -3.39 114.58 115.63 1sjg h GLU 35 Ca -0.03 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1sjg h GLU 35 Cb 1.02 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1sjg h GLU 35 CO 0.06 1.22 0.00 0.72 -0.73 0.00 0.00 179.01 180.28 1sjg n HIS 36 N -4.02 0.26 -0.81 0.92 8.25 -1.26 -5.08 115.22 113.49 1sjg n HIS 36 Ca -0.20 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 1sjg n HIS 36 Cb 0.87 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.97 1sjg n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sjg n GLY 37 N 1.30 -2.68 3.74 -1.41 0.00 -1.09 -4.88 105.19 100.17 1sjg n GLY 37 Ca 0.16 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.70 3.55 -0.02 1.61 0.11 -1.26 -1.33 120.40 122.36 1sjg s VAL 38 Ca 0.00 1.29 0.05 0.00 -2.93 0.00 0.00 61.98 60.39 1sjg s VAL 38 Cb 0.00 -3.82 -0.01 0.00 -1.53 0.00 0.00 36.38 31.02 1sjg s VAL 38 CO 0.00 0.20 -0.18 -0.54 -3.33 0.00 0.00 175.10 171.24 1sjg s LYS 39 N -0.14 1.57 -0.19 1.54 -0.14 0.17 -4.84 119.74 117.71 1sjg s LYS 39 Ca 0.54 -0.66 0.01 0.00 -1.36 0.00 0.00 55.97 54.50 1sjg s LYS 39 Cb -0.33 -1.48 0.04 0.00 -1.68 0.00 0.00 37.83 34.38 1sjg s LYS 39 CO 0.36 0.37 -0.10 0.00 -0.76 0.00 0.00 175.35 175.22 1sjg s ALA 40 N -0.34 1.91 0.14 5.17 0.00 -1.26 -0.90 121.76 126.48 1sjg s ALA 40 Ca 0.05 -1.12 -0.04 0.00 0.00 0.00 0.00 51.96 50.85 1sjg s ALA 40 Cb -0.08 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 1sjg s ALA 40 CO -0.00 -0.77 0.15 1.52 0.00 0.00 0.00 175.76 176.66 1sjg s TYR 41 N 1.44 0.65 0.16 0.00 -0.85 -1.07 0.68 117.35 118.37 1sjg s TYR 41 Ca -0.00 -1.02 -0.31 0.00 -0.52 0.00 0.00 57.07 55.21 1sjg s TYR 41 Cb -0.16 -0.29 -0.17 0.00 0.38 0.00 0.00 41.96 41.71 1sjg s TYR 41 CO -0.08 -0.60 0.72 1.04 -1.52 0.00 0.00 175.55 175.10 1sjg n GLN 42 N -0.14 0.16 -0.04 -3.49 3.00 -1.25 0.31 117.38 115.93 1sjg n GLN 42 Ca -0.07 0.06 -0.14 0.00 -0.01 0.00 0.00 57.00 56.84 1sjg n GLN 42 Cb 0.63 -1.23 -0.08 0.00 0.00 0.00 0.00 30.24 29.56 1sjg n GLN 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1sjg h ALA 43 N 1.67 0.15 -2.67 -1.58 0.00 -1.56 -3.33 119.26 111.93 1sjg h ALA 43 Ca -0.35 -0.36 -0.58 0.00 0.00 0.00 0.00 54.91 53.62 1sjg h ALA 43 Cb 1.43 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1sjg h ALA 43 CO 0.60 0.07 -0.25 -1.64 0.00 0.00 0.00 179.25 178.03 1sjg s MET 44 N -4.01 3.72 0.37 0.00 -1.94 -1.26 -4.69 119.30 111.50 1sjg s MET 44 Ca -0.15 0.10 0.01 0.00 -1.71 0.00 0.00 55.69 53.95 1sjg s MET 44 Cb 0.04 -2.92 -0.02 0.00 2.01 0.00 0.00 34.83 33.94 1sjg s MET 44 CO 0.75 0.51 0.57 0.00 -0.01 0.00 0.00 175.02 176.83 1sjg n PRO 46 N -1.85 0.29 0.00 0.00 -0.04 -1.23 -4.27 135.00 127.91 1sjg n PRO 46 Ca -0.03 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1sjg n PRO 46 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1sjg n PRO 46 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1sjg n HIS 47 N -1.24 0.00 -3.15 0.54 8.25 -1.26 -4.98 115.22 113.38 1sjg n HIS 47 Ca 0.09 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.61 1sjg n HIS 47 Cb 0.12 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 1sjg n HIS 47 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1sjg s GLN 48 N 0.30 0.02 -0.24 -0.41 0.74 -1.26 -5.17 119.66 113.64 1sjg s GLN 48 Ca 0.00 0.03 -0.28 0.00 0.05 0.00 0.00 55.36 55.16 1sjg s GLN 48 Cb 0.00 0.01 0.15 0.00 1.10 0.00 0.00 33.01 34.27 1sjg s GLN 48 CO 0.00 -0.03 1.14 -2.00 -0.55 0.00 0.00 175.29 173.85 1sjg s GLU 49 N 2.99 0.39 -0.00 1.67 2.56 -1.26 -4.83 118.70 120.22 1sjg s GLU 49 Ca 0.13 0.23 0.07 0.00 0.00 0.00 0.00 54.97 55.40 1sjg s GLU 49 Cb -0.03 0.19 -0.02 0.00 2.00 0.00 0.00 34.13 36.26 1sjg s GLU 49 CO -0.15 -0.09 -0.23 0.96 -0.56 0.00 0.00 175.26 175.18 1sjg s ILE 50 N -0.56 2.33 -1.46 -3.70 -4.36 -1.26 -4.57 121.20 107.62 1sjg s ILE 50 Ca 0.03 -1.12 0.00 0.00 -0.26 0.00 0.00 60.65 59.29 1sjg s ILE 50 Cb -0.02 -1.87 0.00 0.00 1.25 0.00 0.00 42.46 41.82 1sjg s ILE 50 CO -0.05 0.50 0.00 -0.11 0.24 0.00 0.00 174.94 175.52 1sjg n LEU 51 N 2.15 -1.33 0.32 0.37 7.94 -1.26 -4.85 117.00 120.34 1sjg n LEU 51 Ca -0.16 0.22 0.21 0.00 -1.11 0.00 0.00 56.01 55.16 1sjg n LEU 51 Cb 0.52 -2.22 1.09 0.00 0.53 0.00 0.00 43.42 43.34 1sjg n LEU 51 CO 0.24 -0.53 1.14 0.17 -1.11 0.00 0.00 177.39 177.30 1sjg h LEU 52 N 0.00 0.00 -1.75 -1.96 -0.00 -1.91 -3.13 115.31 106.56 1sjg h LEU 52 Ca -0.33 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.64 1sjg h LEU 52 Cb 1.09 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.72 1sjg h LEU 52 CO 0.44 0.01 0.33 0.77 -0.00 0.00 0.00 178.44 179.98 1sjg h SER 53 N 0.00 0.26 -0.69 0.17 4.64 -1.88 -1.64 113.55 114.42 1sjg h SER 53 Ca -0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.17 1sjg h SER 53 Cb 0.11 -0.05 -0.09 0.00 -0.31 0.00 0.00 62.40 62.05 1sjg h SER 53 CO 0.00 0.16 0.19 1.21 -0.87 0.00 0.00 176.83 177.53 1sjg n GLU 54 N -4.46 4.02 0.00 4.77 2.13 -1.18 -4.35 120.64 121.56 1sjg n GLU 54 Ca 0.07 -3.12 0.00 0.00 0.66 0.00 0.00 57.16 54.78 1sjg n GLU 54 Cb 0.34 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 29.83 1sjg n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sjg n GLY 55 N 0.03 -2.71 3.62 8.31 0.00 -0.62 -4.98 105.19 108.84 1sjg n GLY 55 Ca 0.37 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 46.44 1sjg n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sjg s SER 56 N -2.21 -0.22 -0.16 1.61 1.04 -0.96 -4.91 113.70 107.89 1sjg s SER 56 Ca 0.00 0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.73 1sjg s SER 56 Cb 0.00 0.27 0.04 0.00 0.10 0.00 0.00 66.02 66.43 1sjg s SER 56 CO 0.00 -0.16 -0.05 -0.47 0.98 0.00 0.00 173.24 173.54 1sjg s TYR 57 N -0.69 1.59 -0.32 5.02 5.04 -1.26 0.15 117.35 126.88 1sjg s TYR 57 Ca 0.04 -0.99 0.01 0.00 -2.44 0.00 0.00 57.07 53.68 1sjg s TYR 57 Cb -0.02 -1.27 0.08 0.00 0.35 0.00 0.00 41.96 41.10 1sjg s TYR 57 CO -0.05 -0.59 0.02 -2.00 -1.34 0.00 0.00 175.55 171.59 1sjg s GLU 58 N 1.67 2.08 0.00 4.97 2.12 0.13 -4.94 118.70 124.73 1sjg s GLU 58 Ca 0.01 -1.53 0.00 0.00 0.36 0.00 0.00 54.97 53.81 1sjg s GLU 58 Cb -0.15 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.05 1sjg s GLU 58 CO -0.08 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.29 1sjg n GLY 59 N 4.48 0.93 0.40 -1.50 0.00 -1.26 -1.12 105.19 107.12 1sjg n GLY 59 Ca -0.07 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.59 3.05 -0.02 0.00 -1.26 -3.71 105.19 103.84 1sjg n GLY 60 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 1.51 0.02 1.61 1.01 -0.28 -3.30 120.40 120.97 1sjg s VAL 61 Ca 0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 1sjg s VAL 61 Cb 0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 34.94 1sjg s VAL 61 CO 0.00 0.44 0.43 0.27 0.00 0.00 0.00 175.10 176.24 1sjg s ILE 62 N 1.03 4.99 -0.14 2.22 -5.25 -1.06 -0.70 121.20 122.29 1sjg s ILE 62 Ca -0.06 0.88 0.01 0.00 -0.99 0.00 0.00 60.65 60.49 1sjg s ILE 62 Cb -0.15 -3.73 -0.00 0.00 2.95 0.00 0.00 42.46 41.53 1sjg s ILE 62 CO -0.02 0.56 -0.16 -0.89 -1.79 0.00 0.00 174.94 172.64 1sjg s THR 63 N -1.10 2.65 0.67 8.37 2.01 0.12 -2.34 115.64 126.02 1sjg s THR 63 Ca 0.25 -0.79 -0.14 0.00 0.31 0.00 0.00 61.69 61.32 1sjg s THR 63 Cb -0.17 -2.10 0.00 0.00 0.01 0.00 0.00 72.50 70.24 1sjg s THR 63 CO 0.14 0.52 1.09 0.00 -0.69 0.00 0.00 174.62 175.69 1sjg h ARG 65 N -0.16 0.25 0.00 0.00 1.12 -1.91 -3.36 114.38 110.32 1sjg h ARG 65 Ca -0.46 -0.20 0.00 0.00 -1.11 0.00 0.00 59.98 58.21 1sjg h ARG 65 Cb 1.23 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.24 1sjg h ARG 65 CO 0.54 0.85 0.00 0.00 -3.11 0.00 0.00 179.97 178.25 1sjg n ALA 66 N -2.47 0.00 -2.58 2.80 0.00 -1.26 -4.66 120.51 112.33 1sjg n ALA 66 Ca -0.03 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.95 1sjg n ALA 66 Cb 0.68 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.10 1sjg n ALA 66 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1sjg s HIS 67 N -0.77 2.88 -1.12 0.00 -3.43 -1.26 -4.96 115.29 106.64 1sjg s HIS 67 Ca 0.00 0.56 -0.18 0.00 -0.80 0.00 0.00 55.06 54.64 1sjg s HIS 67 Cb 0.00 -4.18 0.11 0.00 -1.43 0.00 0.00 32.58 27.08 1sjg s HIS 67 CO 0.00 -1.17 1.44 -0.51 -2.00 0.00 0.00 174.74 172.50 1sjg s LEU 68 N 4.07 4.41 0.00 5.38 1.02 -1.26 -3.67 118.68 128.63 1sjg s LEU 68 Ca 0.42 -2.27 0.00 0.00 0.02 0.00 0.00 54.13 52.30 1sjg s LEU 68 Cb -0.09 -2.48 0.00 0.00 0.02 0.00 0.00 46.19 43.64 1sjg s LEU 68 CO 0.28 -1.10 0.00 0.79 0.02 0.00 0.00 176.35 176.34 1sjg n TRP 69 N 7.28 -0.14 -3.95 0.29 7.02 -1.26 -5.04 117.44 121.64 1sjg n TRP 69 Ca 0.36 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.48 1sjg n TRP 69 Cb 0.47 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.29 1sjg n TRP 69 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1sjg s THR 70 N -1.94 5.19 0.01 -0.99 -4.23 -1.26 -4.34 115.64 108.08 1sjg s THR 70 Ca 0.00 0.10 0.03 0.00 -1.18 0.00 0.00 61.69 60.63 1sjg s THR 70 Cb 0.00 -3.28 -0.01 0.00 1.34 0.00 0.00 72.50 70.55 1sjg s THR 70 CO 0.00 0.56 -0.08 0.12 -0.54 0.00 0.00 174.62 174.68 1sjg s PHE 71 N -0.54 0.75 -0.43 3.99 2.19 -0.99 -1.29 117.98 121.67 1sjg s PHE 71 Ca 0.12 -0.24 -0.27 0.00 0.33 0.00 0.00 56.93 56.86 1sjg s PHE 71 Cb -0.12 -0.46 0.02 0.00 -1.31 0.00 0.00 43.02 41.15 1sjg s PHE 71 CO 0.02 -0.02 1.00 1.21 1.83 0.00 0.00 175.22 179.26 1sjg s ASN 72 N -0.65 6.62 0.10 6.13 3.84 0.61 -2.57 114.94 129.02 1sjg s ASN 72 Ca -0.00 0.43 0.19 0.00 0.21 0.00 0.00 52.86 53.69 1sjg s ASN 72 Cb -0.05 -2.49 0.80 0.00 -0.55 0.00 0.00 41.25 38.96 1sjg s ASN 72 CO 0.00 -1.03 1.60 -0.67 -2.79 0.00 0.00 177.10 174.21 1sjg n ASP 73 N 7.21 0.27 -0.08 -4.21 2.03 -1.21 -1.23 116.55 119.34 1sjg n ASP 73 Ca 0.08 0.56 -0.13 0.00 0.52 0.00 0.00 54.79 55.82 1sjg n ASP 73 Cb 0.48 -0.62 -0.14 0.00 -0.72 0.00 0.00 41.12 40.12 1sjg n ASP 73 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sjg n GLY 74 N 0.20 -0.79 0.04 0.27 0.00 -1.26 -4.61 105.19 99.05 1sjg n GLY 74 Ca 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 1sjg n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sjg n THR 75 N -3.04 0.54 -0.64 2.61 -2.24 -1.21 -4.99 114.28 105.32 1sjg n THR 75 Ca -0.32 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1sjg n THR 75 Cb 1.08 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1sjg n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sjg n GLY 76 N 2.01 0.65 3.72 3.38 0.00 -0.36 -4.79 105.19 109.80 1sjg n GLY 76 Ca -0.14 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.00 3.13 0.53 1.61 5.65 -1.24 -0.17 115.29 122.81 1sjg s HIS 77 Ca 0.00 0.10 -0.17 0.00 0.25 0.00 0.00 55.06 55.23 1sjg s HIS 77 Cb 0.00 -1.66 -0.07 0.00 -1.18 0.00 0.00 32.58 29.67 1sjg s HIS 77 CO 0.00 0.49 1.02 0.20 -0.65 0.00 0.00 174.74 175.81 1sjg s GLY 78 N -1.83 2.21 -0.23 1.59 0.00 0.10 -0.28 107.32 108.88 1sjg s GLY 78 Ca 0.23 0.37 -0.17 0.00 0.00 0.00 0.00 44.72 45.15 1sjg s GLY 78 CO 0.14 0.68 -0.01 1.39 0.00 0.00 0.00 173.10 175.30 1sjg n ILE 79 N -1.55 1.54 -3.49 0.90 2.08 -0.66 -3.94 119.36 114.23 1sjg n ILE 79 Ca 0.08 -0.21 -0.16 0.00 0.56 0.00 0.00 62.75 63.03 1sjg n ILE 79 Cb 0.53 -1.95 -0.12 0.00 -0.75 0.00 0.00 39.64 37.35 1sjg n ILE 79 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1sjg s ASN 80 N -7.10 0.99 0.28 4.38 2.47 -0.41 -2.72 114.94 112.84 1sjg s ASN 80 Ca -0.33 -0.00 -0.28 0.00 0.42 0.00 0.00 52.86 52.67 1sjg s ASN 80 Cb 0.09 0.57 -0.09 0.00 -1.45 0.00 0.00 41.25 40.37 1sjg s ASN 80 CO 0.56 -0.31 0.97 -2.84 -3.72 0.00 0.00 177.10 171.77 1sjg s PRO 81 N 2.38 4.70 0.12 0.43 0.02 -1.26 -4.04 135.00 137.35 1sjg s PRO 81 Ca 0.07 1.50 0.23 0.00 0.02 0.00 0.00 61.00 62.82 1sjg s PRO 81 Cb -0.15 -3.08 0.91 0.00 0.02 0.00 0.00 34.50 32.19 1sjg s PRO 81 CO -0.12 0.36 1.71 -0.40 -0.33 0.00 0.00 177.00 178.22 1sjg n ASP 82 N 1.08 0.39 0.26 2.53 5.68 -1.10 -2.76 116.55 122.62 1sjg n ASP 82 Ca -0.00 0.57 0.10 0.00 -0.50 0.00 0.00 54.79 54.95 1sjg n ASP 82 Cb 0.48 -0.66 0.69 0.00 -1.14 0.00 0.00 41.12 40.49 1sjg n ASP 82 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1sjg h ASP 83 N 0.00 0.00 -3.25 -1.12 1.82 -1.89 -3.39 116.42 108.59 1sjg h ASP 83 Ca 0.00 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.10 1sjg h ASP 83 Cb 0.46 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.44 1sjg h ASP 83 CO 0.00 0.04 -0.18 0.00 -1.61 0.00 0.00 179.24 177.49 1sjg s LEU 86 N -2.06 1.82 -0.16 0.00 1.02 0.76 -4.31 118.68 115.76 1sjg s LEU 86 Ca -0.01 -0.26 -0.27 0.00 0.02 0.00 0.00 54.13 53.61 1sjg s LEU 86 Cb -0.01 -0.74 -0.01 0.00 0.02 0.00 0.00 46.19 45.45 1sjg s LEU 86 CO -0.04 0.10 0.89 0.00 0.02 0.00 0.00 176.35 177.32 1sjg s ALA 87 N 0.17 3.50 0.19 4.21 0.00 -1.26 -4.58 121.76 123.99 1sjg s ALA 87 Ca -0.04 0.14 -0.19 0.00 0.00 0.00 0.00 51.96 51.87 1sjg s ALA 87 Cb -0.10 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 1sjg s ALA 87 CO 0.01 -0.66 0.69 -1.83 0.00 0.00 0.00 175.76 173.97 1sjg s GLU 88 N 2.18 4.22 -0.05 0.00 -1.05 -1.26 -3.78 118.70 118.96 1sjg s GLU 88 Ca 0.41 0.81 -0.03 0.00 -0.15 0.00 0.00 54.97 56.02 1sjg s GLU 88 Cb -0.17 -2.94 -0.04 0.00 -0.44 0.00 0.00 34.13 30.54 1sjg s GLU 88 CO 0.13 0.44 0.11 0.71 0.95 0.00 0.00 175.26 177.61 1sjg s TYR 89 N -1.46 3.43 0.07 4.83 2.02 0.22 -4.97 117.35 121.48 1sjg s TYR 89 Ca 0.41 0.34 -0.31 0.00 -0.37 0.00 0.00 57.07 57.13 1sjg s TYR 89 Cb -0.17 -1.83 -0.10 0.00 -0.40 0.00 0.00 41.96 39.46 1sjg s TYR 89 CO 0.21 0.62 1.88 -2.30 -1.57 0.00 0.00 175.55 174.39 1sjg n PRO 90 N 1.48 2.73 -4.97 -1.71 -0.02 -1.26 -4.16 135.00 127.09 1sjg n PRO 90 Ca -0.15 0.99 -0.28 0.00 -2.02 0.00 0.00 63.50 62.04 1sjg n PRO 90 Cb 0.53 -2.90 -0.16 0.00 -0.02 0.00 0.00 33.50 30.95 1sjg n PRO 90 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1sjg s VAL 91 N 3.42 1.65 -0.24 -1.45 0.11 -1.26 -1.21 120.40 121.41 1sjg s VAL 91 Ca 0.86 -0.81 -0.04 0.00 -2.93 0.00 0.00 61.98 59.06 1sjg s VAL 91 Cb -0.50 -1.43 0.01 0.00 -1.53 0.00 0.00 36.38 32.93 1sjg s VAL 91 CO 0.41 0.47 -0.03 -1.61 -3.33 0.00 0.00 175.10 171.01 1sjg s GLU 92 N 0.19 3.11 -0.36 1.54 0.41 0.98 -4.98 118.70 119.61 1sjg s GLU 92 Ca -0.10 -0.80 -0.05 0.00 -0.41 0.00 0.00 54.97 53.60 1sjg s GLU 92 Cb -0.14 -3.06 0.06 0.00 -1.78 0.00 0.00 34.13 29.20 1sjg s GLU 92 CO 0.04 -0.32 0.13 0.54 -0.49 0.00 0.00 175.26 175.16 1sjg s VAL 93 N 1.42 3.64 -0.14 2.63 0.11 -1.26 -0.65 120.40 126.14 1sjg s VAL 93 Ca 0.03 -1.37 -0.00 0.00 -2.93 0.00 0.00 61.98 57.71 1sjg s VAL 93 Cb -0.16 -3.16 0.03 0.00 -1.53 0.00 0.00 36.38 31.57 1sjg s VAL 93 CO -0.03 -0.30 -0.09 -1.59 -3.33 0.00 0.00 175.10 169.76 1sjg s LYS 94 N 1.34 1.73 7.99 1.54 0.00 -0.42 -4.99 119.74 126.93 1sjg s LYS 94 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 55.97 55.51 1sjg s LYS 94 Cb -0.21 -1.91 0.00 0.00 0.00 0.00 0.00 37.83 35.72 1sjg s LYS 94 CO 0.01 -0.32 0.00 0.41 0.00 0.00 0.00 175.35 175.45 1sjg n GLY 95 N 4.86 3.37 0.29 0.59 0.00 -1.26 -1.48 105.19 111.56 1sjg n GLY 95 Ca -0.14 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.81 1sjg n GLY 95 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sjg n ASP 96 N 9.01 1.41 -4.87 1.61 2.03 -1.26 -4.87 116.55 119.62 1sjg n ASP 96 Ca 0.00 -1.21 -0.37 0.00 0.52 0.00 0.00 54.79 53.73 1sjg n ASP 96 Cb 0.00 0.44 -0.06 0.00 -0.72 0.00 0.00 41.12 40.78 1sjg n ASP 96 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1sjg s ASP 97 N -1.55 6.37 -0.14 1.67 2.15 -0.55 0.10 116.67 124.73 1sjg s ASP 97 Ca 0.11 0.45 -0.00 0.00 0.43 0.00 0.00 52.55 53.54 1sjg s ASP 97 Cb 0.10 -2.07 0.03 0.00 -0.30 0.00 0.00 42.92 40.68 1sjg s ASP 97 CO 0.31 0.39 -0.09 -0.63 -0.17 0.00 0.00 175.17 174.97 1sjg s ILE 98 N -0.93 1.24 0.00 4.11 1.01 -0.41 -1.30 121.20 124.92 1sjg s ILE 98 Ca 0.14 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 1sjg s ILE 98 Cb -0.12 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1sjg s ILE 98 CO 0.04 0.36 0.12 -0.31 0.00 0.00 0.00 174.94 175.14 1sjg s TYR 99 N 1.61 3.38 -0.02 3.97 2.02 0.17 -2.05 117.35 126.44 1sjg s TYR 99 Ca 0.04 0.25 0.03 0.00 -0.37 0.00 0.00 57.07 57.02 1sjg s TYR 99 Cb -0.13 -1.76 -0.00 0.00 -0.40 0.00 0.00 41.96 39.67 1sjg s TYR 99 CO -0.09 0.59 -0.09 0.14 -1.57 0.00 0.00 175.55 174.53 1sjg s VAL 100 N -1.27 0.75 -0.32 0.71 -7.23 0.60 -0.01 120.40 113.62 1sjg s VAL 100 Ca 0.25 -0.36 -0.08 0.00 -1.81 0.00 0.00 61.98 59.99 1sjg s VAL 100 Cb -0.12 -0.65 0.02 0.00 0.56 0.00 0.00 36.38 36.18 1sjg s VAL 100 CO 0.17 0.23 0.12 -0.55 -0.31 0.00 0.00 175.10 174.75 1sjg s SER 101 N 0.06 5.32 -0.18 4.85 0.15 -0.35 0.32 113.70 123.88 1sjg s SER 101 Ca -0.01 -0.81 0.05 0.00 0.70 0.00 0.00 55.95 55.88 1sjg s SER 101 Cb -0.07 -1.92 -0.22 0.00 -1.71 0.00 0.00 66.02 62.10 1sjg s SER 101 CO 0.00 -0.25 0.12 0.35 1.20 0.00 0.00 173.24 174.67 1sjg n THR 102 N 4.89 1.57 -1.93 6.45 -2.24 -1.26 -4.19 114.28 117.57 1sjg n THR 102 Ca -0.14 -0.69 -0.43 0.00 -2.27 0.00 0.00 64.05 60.53 1sjg n THR 102 Cb 0.47 -1.25 -0.03 0.00 -2.10 0.00 0.00 70.33 67.43 1sjg n THR 102 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1sjg s LYS 103 N -2.54 3.59 0.00 -0.78 2.47 -1.26 -1.80 119.74 119.42 1sjg s LYS 103 Ca -0.22 1.78 0.00 0.00 -1.56 0.00 0.00 55.97 55.97 1sjg s LYS 103 Cb 0.08 -4.16 0.00 0.00 -1.46 0.00 0.00 37.83 32.29 1sjg s LYS 103 CO 0.73 -1.56 0.00 0.41 0.16 0.00 0.00 175.35 175.09 1sjg n GLY 104 N 5.06 2.50 3.58 5.54 0.00 -1.26 -4.33 105.19 116.28 1sjg n GLY 104 Ca 0.22 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.27 5.17 -0.13 -0.61 1.09 -0.75 -5.05 121.20 120.66 1sjg s ILE 105 Ca 0.00 0.12 -0.29 0.00 -1.10 0.00 0.00 60.65 59.38 1sjg s ILE 105 Cb 0.00 -3.45 -0.01 0.00 -1.06 0.00 0.00 42.46 37.94 1sjg s ILE 105 CO 0.00 0.28 1.02 -0.22 -0.10 0.00 0.00 174.94 175.92 1sjg s LEU 106 N 1.63 4.21 0.47 2.97 0.20 -1.26 -4.94 118.68 121.96 1sjg s LEU 106 Ca 0.07 1.50 -0.22 0.00 0.69 0.00 0.00 54.13 56.16 1sjg s LEU 106 Cb -0.15 -3.55 -0.09 0.00 -0.43 0.00 0.00 46.19 41.96 1sjg s LEU 106 CO 0.09 -0.50 0.96 -0.81 -0.29 0.00 0.00 176.35 175.79 1sjg n PRO 107 N 5.33 1.18 -1.95 0.98 -0.04 -1.26 -4.91 135.00 134.33 1sjg n PRO 107 Ca 0.10 0.43 -0.30 0.00 -0.04 0.00 0.00 63.50 63.69 1sjg n PRO 107 Cb 0.48 -2.04 0.18 0.00 -0.04 0.00 0.00 33.50 32.08 1sjg n PRO 107 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1sjg s ASN 108 N -0.89 3.23 0.13 3.54 3.84 -1.26 -4.87 114.94 118.65 1sjg s ASN 108 Ca 0.66 0.27 0.08 0.00 0.21 0.00 0.00 52.86 54.08 1sjg s ASN 108 Cb -0.51 -0.34 0.41 0.00 -0.55 0.00 0.00 41.25 40.25 1sjg s ASN 108 CO 0.54 -2.66 1.18 0.29 -2.79 0.00 0.00 177.10 173.66 1sjg n LYS 109 N -3.71 0.05 -0.18 0.43 5.02 -1.26 -1.43 118.16 117.07 1sjg n LYS 109 Ca 0.15 0.51 0.07 0.00 -2.02 0.00 0.00 58.31 57.02 1sjg n LYS 109 Cb 0.60 -1.73 0.36 0.00 -0.02 0.00 0.00 35.03 34.24 1sjg n LYS 109 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sjg h ALA 110 N 1.77 1.72 -2.87 7.82 0.00 -1.83 -3.35 119.26 122.52 1sjg h ALA 110 Ca 0.00 -0.02 -0.71 0.00 0.00 0.00 0.00 54.91 54.18 1sjg h ALA 110 Cb 0.14 -0.19 -0.30 0.00 0.00 0.00 0.00 17.79 17.44 1sjg h ALA 110 CO 0.00 0.16 -0.48 -1.58 0.00 0.00 0.00 179.25 177.35 1sjg s HIS 111 N -5.66 3.41 -1.85 0.00 5.65 -0.52 -3.57 115.29 112.76 1sjg s HIS 111 Ca -0.10 -1.84 0.15 0.00 0.25 0.00 0.00 55.06 53.52 1sjg s HIS 111 Cb 0.19 -3.11 0.12 0.00 -1.18 0.00 0.00 32.58 28.60 1sjg s HIS 111 CO 0.77 -0.91 0.97 0.43 -0.65 0.00 0.00 174.74 175.35