#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 -3.05 -4.55 7.83 7.64 -1.26 -4.09 113.62 116.13 1sjg n SER 2 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 1sjg n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1sjg n SER 2 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1sjg s PHE 3 N 0.00 2.09 -0.02 1.43 0.40 -1.25 -2.47 117.98 118.15 1sjg s PHE 3 Ca 0.00 0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.49 1sjg s PHE 3 Cb 0.00 -4.43 -0.04 0.00 0.51 0.00 0.00 43.02 39.07 1sjg s PHE 3 CO 0.00 -2.10 -0.00 -1.83 0.70 0.00 0.00 175.22 171.99 1sjg s GLU 4 N 6.13 2.82 -0.14 0.44 -1.05 0.66 -4.78 118.70 122.78 1sjg s GLU 4 Ca 0.49 -0.57 -0.29 0.00 -0.15 0.00 0.00 54.97 54.44 1sjg s GLU 4 Cb -0.08 -2.69 -0.01 0.00 -0.44 0.00 0.00 34.13 30.91 1sjg s GLU 4 CO 0.12 0.64 1.04 0.21 0.95 0.00 0.00 175.26 178.21 1sjg s LYS 5 N -1.43 4.36 -0.21 -4.83 2.20 -1.26 -0.64 119.74 117.93 1sjg s LYS 5 Ca 0.18 1.41 -0.16 0.00 -0.36 0.00 0.00 55.97 57.04 1sjg s LYS 5 Cb -0.11 -3.58 -0.12 0.00 -1.51 0.00 0.00 37.83 32.51 1sjg s LYS 5 CO 0.09 -0.43 -0.14 -0.89 -0.36 0.00 0.00 175.35 173.62 1sjg n ILE 6 N 4.80 1.51 -3.28 5.43 2.08 -0.96 -4.98 119.36 123.96 1sjg n ILE 6 Ca 0.10 -0.07 -0.03 0.00 0.56 0.00 0.00 62.75 63.32 1sjg n ILE 6 Cb 0.48 -2.11 0.01 0.00 -0.75 0.00 0.00 39.64 37.26 1sjg n ILE 6 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1sjg s SER 8 N -1.54 5.65 0.62 0.00 0.15 -1.25 -1.53 113.70 115.79 1sjg s SER 8 Ca 0.05 -0.04 0.38 0.00 0.70 0.00 0.00 55.95 57.04 1sjg s SER 8 Cb -0.01 -1.53 2.07 0.00 -1.71 0.00 0.00 66.02 64.83 1sjg s SER 8 CO 0.03 0.10 2.27 0.25 1.20 0.00 0.00 173.24 177.10 1sjg h LEU 9 N 2.68 0.00 -2.16 3.45 6.46 -0.38 0.25 115.31 125.60 1sjg h LEU 9 Ca -0.47 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 1sjg h LEU 9 Cb 1.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1sjg h LEU 9 CO 0.65 0.02 0.00 -0.78 -0.62 0.00 0.00 178.44 177.71 1sjg h ASP 10 N 0.00 0.00 0.05 1.25 1.82 -1.92 -2.56 116.42 115.05 1sjg h ASP 10 Ca -0.00 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.27 1sjg h ASP 10 Cb 0.10 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.06 1sjg h ASP 10 CO 0.00 0.00 -2.14 0.47 -1.61 0.00 0.00 179.24 175.96 1sjg n ASP 11 N -3.02 2.01 -4.18 2.28 8.00 0.79 -4.89 116.55 117.54 1sjg n ASP 11 Ca -0.01 0.14 -0.35 0.00 0.71 0.00 0.00 54.79 55.28 1sjg n ASP 11 Cb 0.18 -0.72 -0.14 0.00 -0.02 0.00 0.00 41.12 40.42 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 3.02 0.40 0.53 1.10 -0.68 -5.05 121.20 118.01 1sjg s ILE 12 Ca -0.30 -1.31 0.08 0.00 -0.51 0.00 0.00 60.65 58.61 1sjg s ILE 12 Cb 0.09 -2.70 -0.00 0.00 0.15 0.00 0.00 42.46 39.99 1sjg s ILE 12 CO 0.64 -0.06 0.48 0.26 -2.11 0.00 0.00 174.94 174.15 1sjg s TRP 13 N 1.27 2.82 -0.00 3.50 0.52 -1.24 -4.42 118.94 121.39 1sjg s TRP 13 Ca -0.04 -0.40 -0.30 0.00 0.02 0.00 0.00 56.10 55.38 1sjg s TRP 13 Cb -0.19 -2.22 -0.05 0.00 -1.15 0.00 0.00 33.47 29.85 1sjg s TRP 13 CO -0.01 -0.23 1.42 0.08 0.02 0.00 0.00 176.95 178.22 1sjg s VAL 14 N -2.36 3.69 0.00 4.03 1.01 -1.26 -1.83 120.40 123.68 1sjg s VAL 14 Ca 0.51 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.55 1sjg s VAL 14 Cb -0.08 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1sjg s VAL 14 CO 0.31 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1sjg n GLY 15 N 3.68 0.61 3.80 4.51 0.00 0.16 -4.94 105.19 113.01 1sjg n GLY 15 Ca 0.13 0.00 -0.28 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 -0.85 2.94 -0.10 1.61 0.41 -0.76 -4.80 118.70 117.15 1sjg s GLU 16 Ca 0.00 -0.79 -0.15 0.00 -0.41 0.00 0.00 54.97 53.62 1sjg s GLU 16 Cb 0.00 -2.70 0.04 0.00 -1.78 0.00 0.00 34.13 29.69 1sjg s GLU 16 CO 0.00 0.52 0.39 0.00 -0.49 0.00 0.00 175.26 175.68 1sjg s MET 17 N -2.87 0.58 0.06 1.61 0.23 -1.26 -1.53 119.30 116.11 1sjg s MET 17 Ca 0.31 0.30 -0.23 0.00 -1.03 0.00 0.00 55.69 55.04 1sjg s MET 17 Cb -0.11 0.27 0.05 0.00 -1.53 0.00 0.00 34.83 33.52 1sjg s MET 17 CO 0.23 -0.12 0.54 -1.83 -2.03 0.00 0.00 175.02 171.81 1sjg s GLU 18 N -0.38 1.07 0.20 3.16 -1.05 -0.86 -4.67 118.70 116.18 1sjg s GLU 18 Ca -0.05 -0.26 -0.30 0.00 -0.15 0.00 0.00 54.97 54.21 1sjg s GLU 18 Cb -0.03 0.49 -0.08 0.00 -0.44 0.00 0.00 34.13 34.06 1sjg s GLU 18 CO 0.02 -0.40 1.16 0.99 0.95 0.00 0.00 175.26 177.99 1sjg s THR 19 N -2.62 3.59 0.11 1.83 2.01 -1.26 -1.34 115.64 117.97 1sjg s THR 19 Ca -0.04 1.39 0.02 0.00 0.31 0.00 0.00 61.69 63.37 1sjg s THR 19 Cb -0.00 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1sjg s THR 19 CO -0.03 0.25 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.73 1sjg s PHE 20 N -0.32 0.96 -0.11 4.92 0.08 0.12 -4.95 117.98 118.67 1sjg s PHE 20 Ca 0.51 -0.91 -0.03 0.00 0.12 0.00 0.00 56.93 56.61 1sjg s PHE 20 Cb -0.32 -0.55 -0.03 0.00 -0.57 0.00 0.00 43.02 41.55 1sjg s PHE 20 CO 0.38 -0.14 0.02 -2.00 -0.10 0.00 0.00 175.22 173.38 1sjg s GLU 21 N -3.84 3.28 0.83 0.44 2.12 -1.26 -0.39 118.70 119.88 1sjg s GLU 21 Ca 0.14 -0.39 -0.09 0.00 0.36 0.00 0.00 54.97 54.99 1sjg s GLU 21 Cb 0.05 -2.91 0.14 0.00 0.26 0.00 0.00 34.13 31.67 1sjg s GLU 21 CO -0.03 0.58 1.15 0.95 -0.54 0.00 0.00 175.26 177.37 1sjg s THR 22 N -0.52 2.10 0.34 -1.70 -4.23 0.24 -4.90 115.64 106.96 1sjg s THR 22 Ca 0.09 -0.23 0.36 0.00 -1.18 0.00 0.00 61.69 60.74 1sjg s THR 22 Cb -0.12 -2.87 0.40 0.00 1.34 0.00 0.00 72.50 71.25 1sjg s THR 22 CO 0.02 0.00 2.13 0.28 -0.54 0.00 0.00 174.62 176.51 1sjg h SER 23 N -1.05 0.00 -0.31 3.99 0.02 -1.96 -1.40 113.55 112.83 1sjg h SER 23 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1sjg h SER 23 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1sjg h SER 23 CO 0.45 0.02 0.00 0.47 -1.14 0.00 0.00 176.83 176.64 1sjg n ASP 24 N -3.16 2.71 -0.84 3.07 8.00 -1.26 -4.90 116.55 120.16 1sjg n ASP 24 Ca -0.01 -1.89 -0.05 0.00 0.71 0.00 0.00 54.79 53.55 1sjg n ASP 24 Cb 0.22 -0.20 0.01 0.00 -0.02 0.00 0.00 41.12 41.13 1sjg n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sjg n GLY 25 N 1.35 0.31 3.80 0.44 0.00 -0.53 -5.03 105.19 105.53 1sjg n GLY 25 Ca 0.18 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.56 5.36 -0.21 2.61 2.01 -1.26 -4.84 115.64 116.75 1sjg s THR 26 Ca 0.05 0.39 -0.20 0.00 0.31 0.00 0.00 61.69 62.24 1sjg s THR 26 Cb -0.02 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 1sjg s THR 26 CO 0.07 0.51 0.61 -1.61 -0.69 0.00 0.00 174.62 173.51 1sjg s GLU 27 N -0.30 4.18 0.01 4.92 0.41 -1.26 -0.59 118.70 126.06 1sjg s GLU 27 Ca 0.15 0.57 0.05 0.00 -0.41 0.00 0.00 54.97 55.33 1sjg s GLU 27 Cb -0.13 -3.59 -0.02 0.00 -1.78 0.00 0.00 34.13 28.61 1sjg s GLU 27 CO 0.04 -0.27 -0.16 0.08 -0.49 0.00 0.00 175.26 174.46 1sjg s VAL 28 N 2.02 1.25 -0.38 2.63 1.01 0.48 -0.91 120.40 126.49 1sjg s VAL 28 Ca 0.27 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 1sjg s VAL 28 Cb -0.16 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.16 1sjg s VAL 28 CO 0.10 0.25 0.28 -0.22 0.00 0.00 0.00 175.10 175.50 1sjg s LEU 29 N -0.65 4.90 -0.36 3.92 2.96 0.23 0.11 118.68 129.79 1sjg s LEU 29 Ca 0.05 -0.73 -0.17 0.00 -0.22 0.00 0.00 54.13 53.06 1sjg s LEU 29 Cb -0.07 -2.15 -0.00 0.00 0.50 0.00 0.00 46.19 44.47 1sjg s LEU 29 CO 0.00 -0.37 0.43 -0.63 -1.32 0.00 0.00 176.35 174.46 1sjg s ILE 30 N 1.69 5.09 -0.20 6.68 1.01 -0.45 -1.26 121.20 133.77 1sjg s ILE 30 Ca 0.05 0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.75 1sjg s ILE 30 Cb -0.18 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 1sjg s ILE 30 CO 0.10 -0.19 0.00 -0.69 0.00 0.00 0.00 174.94 174.16 1sjg s VAL 31 N 2.19 3.97 -0.38 2.92 1.01 0.11 -2.02 120.40 128.21 1sjg s VAL 31 Ca 0.15 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 1sjg s VAL 31 Cb -0.16 -2.80 0.07 0.00 0.00 0.00 0.00 36.38 33.49 1sjg s VAL 31 CO 0.13 0.43 0.17 0.21 0.00 0.00 0.00 175.10 176.04 1sjg s ASN 32 N 1.01 5.40 0.22 3.32 2.47 -0.58 0.11 114.94 126.89 1sjg s ASN 32 Ca 0.02 -1.43 0.02 0.00 0.42 0.00 0.00 52.86 51.89 1sjg s ASN 32 Cb -0.14 -1.90 -0.03 0.00 -1.45 0.00 0.00 41.25 37.72 1sjg s ASN 32 CO 0.02 -0.44 0.38 -0.44 -3.72 0.00 0.00 177.10 172.90 1sjg s SER 33 N 1.74 6.34 -0.07 -4.21 0.01 0.14 0.37 113.70 118.02 1sjg s SER 33 Ca 0.01 0.24 -0.26 0.00 1.31 0.00 0.00 55.95 57.25 1sjg s SER 33 Cb -0.21 -1.94 -0.23 0.00 0.21 0.00 0.00 66.02 63.85 1sjg s SER 33 CO 0.01 -0.06 1.02 -0.08 0.41 0.00 0.00 173.24 174.54 1sjg h GLU 34 N 1.57 0.08 0.00 12.44 4.81 -1.91 -3.06 114.58 128.51 1sjg h GLU 34 Ca -0.50 -0.08 -0.37 0.00 -0.13 0.00 0.00 59.36 58.28 1sjg h GLU 34 Cb 1.21 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.54 1sjg h GLU 34 CO 0.65 0.82 -2.37 -1.91 -0.73 0.00 0.00 179.01 175.47 1sjg n GLU 35 N -4.64 0.68 -0.07 1.92 2.13 -1.26 -4.45 120.64 114.94 1sjg n GLU 35 Ca -0.09 0.07 0.11 0.00 0.66 0.00 0.00 57.16 57.91 1sjg n GLU 35 Cb 0.42 -1.54 0.37 0.00 0.27 0.00 0.00 31.44 30.96 1sjg n GLU 35 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1sjg n HIS 36 N -2.97 0.19 -4.64 4.31 8.25 -1.26 -5.04 115.22 114.05 1sjg n HIS 36 Ca -0.37 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.00 1sjg n HIS 36 Cb 1.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.20 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 1.19 -0.83 3.70 -1.41 0.00 -1.16 -4.67 105.19 102.02 1sjg n GLY 37 Ca 0.17 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 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 0.00 5.14 0.12 1.61 0.11 -1.26 0.28 120.40 126.40 1sjg s VAL 38 Ca 0.00 1.04 0.04 0.00 -2.93 0.00 0.00 61.98 60.13 1sjg s VAL 38 Cb 0.00 -3.86 -0.04 0.00 -1.53 0.00 0.00 36.38 30.95 1sjg s VAL 38 CO 0.00 0.27 -0.10 -0.75 -3.33 0.00 0.00 175.10 171.19 1sjg s LYS 39 N 0.95 0.97 -0.10 1.54 2.47 0.12 -4.85 119.74 120.84 1sjg s LYS 39 Ca 0.27 -1.33 0.03 0.00 -1.56 0.00 0.00 55.97 53.38 1sjg s LYS 39 Cb -0.16 -0.57 0.01 0.00 -1.46 0.00 0.00 37.83 35.65 1sjg s LYS 39 CO 0.11 0.07 -0.17 0.00 0.16 0.00 0.00 175.35 175.52 1sjg s ALA 40 N -2.99 1.75 0.16 3.13 0.00 -1.25 -0.71 121.76 121.85 1sjg s ALA 40 Ca 0.12 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1sjg s ALA 40 Cb 0.01 -0.76 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 1sjg s ALA 40 CO 0.00 0.09 -0.01 0.71 0.00 0.00 0.00 175.76 176.55 1sjg s TYR 41 N 0.69 1.16 0.32 0.00 2.02 -0.39 -0.58 117.35 120.58 1sjg s TYR 41 Ca -0.13 -1.00 -0.29 0.00 -0.37 0.00 0.00 57.07 55.29 1sjg s TYR 41 Cb -0.16 -0.66 -0.13 0.00 -0.40 0.00 0.00 41.96 40.62 1sjg s TYR 41 CO 0.03 -0.20 1.31 1.04 -1.57 0.00 0.00 175.55 176.16 1sjg n GLN 42 N -0.21 2.09 -0.08 -0.62 1.13 -1.18 0.75 117.38 119.27 1sjg n GLN 42 Ca -0.07 0.74 -0.13 0.00 -1.94 0.00 0.00 57.00 55.59 1sjg n GLN 42 Cb 0.63 -2.33 -0.01 0.00 0.11 0.00 0.00 30.24 28.64 1sjg n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sjg h ALA 43 N 2.88 0.56 -2.95 -1.58 0.00 -1.27 -3.38 119.26 113.53 1sjg h ALA 43 Ca -0.46 -0.48 -0.64 0.00 0.00 0.00 0.00 54.91 53.33 1sjg h ALA 43 Cb 1.28 -0.10 -0.20 0.00 0.00 0.00 0.00 17.79 18.78 1sjg h ALA 43 CO 0.65 0.68 -0.57 -1.64 0.00 0.00 0.00 179.25 178.37 1sjg s MET 44 N -4.25 3.81 1.04 0.00 -1.94 -1.26 -4.71 119.30 111.99 1sjg s MET 44 Ca -0.10 -0.40 -0.14 0.00 -1.71 0.00 0.00 55.69 53.34 1sjg s MET 44 Cb 0.11 -3.47 0.21 0.00 2.01 0.00 0.00 34.83 33.69 1sjg s MET 44 CO 0.88 -0.16 1.11 0.00 -0.01 0.00 0.00 175.02 176.84 1sjg h PRO 46 N -2.02 0.00 0.00 0.00 0.11 -1.74 -0.69 132.00 127.66 1sjg h PRO 46 Ca -0.52 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 1sjg h PRO 46 Cb 1.32 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 1sjg h PRO 46 CO 0.53 0.00 -2.10 0.72 -0.21 0.00 0.00 178.00 176.93 1sjg n HIS 47 N -2.90 0.00 0.00 0.65 8.25 -1.26 -4.03 115.22 115.93 1sjg n HIS 47 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1sjg n HIS 47 Cb 0.08 -0.63 0.00 0.00 1.12 0.00 0.00 29.99 30.55 1sjg n HIS 47 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sjg n GLN 48 N -2.39 0.00 0.00 -0.41 10.64 -0.37 -4.82 117.38 120.03 1sjg n GLN 48 Ca -0.12 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.05 1sjg n GLN 48 Cb 0.73 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.11 1sjg n GLN 48 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1sjg n GLU 49 N 0.00 0.00 -4.47 2.61 1.02 -1.26 -4.62 120.64 113.92 1sjg n GLU 49 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 1sjg n GLU 49 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 1sjg n GLU 49 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1sjg s ILE 50 N 0.00 3.91 -0.73 -3.67 1.01 -1.26 -5.04 121.20 115.42 1sjg s ILE 50 Ca 0.00 -0.52 -0.27 0.00 0.00 0.00 0.00 60.65 59.87 1sjg s ILE 50 Cb 0.00 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.83 1sjg s ILE 50 CO 0.00 0.51 1.43 -0.76 0.00 0.00 0.00 174.94 176.12 1sjg s LEU 51 N -1.10 3.21 0.59 2.97 1.02 -1.26 -4.82 118.68 119.28 1sjg s LEU 51 Ca 0.15 -0.33 0.30 0.00 0.02 0.00 0.00 54.13 54.27 1sjg s LEU 51 Cb -0.11 -2.55 1.83 0.00 0.02 0.00 0.00 46.19 45.38 1sjg s LEU 51 CO 0.05 -1.95 2.25 0.17 0.02 0.00 0.00 176.35 176.88 1sjg h LEU 52 N 13.83 0.00 -1.82 1.79 -0.00 -1.85 -0.16 115.31 127.10 1sjg h LEU 52 Ca -0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.61 1sjg h LEU 52 Cb 1.07 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.73 1sjg h LEU 52 CO 1.27 0.01 -0.14 0.77 -0.00 0.00 0.00 178.44 180.35 1sjg h SER 53 N 0.00 0.00 -0.19 0.17 4.64 -1.87 -0.60 113.55 115.69 1sjg h SER 53 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1sjg h SER 53 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1sjg h SER 53 CO 0.00 0.14 -0.02 1.21 -0.87 0.00 0.00 176.83 177.29 1sjg n GLU 54 N -4.06 2.34 0.00 4.77 0.00 -0.15 -4.36 120.64 119.18 1sjg n GLU 54 Ca -0.02 -2.82 0.00 0.00 0.00 0.00 0.00 57.16 54.32 1sjg n GLU 54 Cb 0.22 -1.75 0.00 0.00 0.00 0.00 0.00 31.44 29.92 1sjg n GLU 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sjg n GLY 55 N -0.84 0.49 3.22 8.31 0.00 -0.23 -4.96 105.19 111.18 1sjg n GLY 55 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 1sjg n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sjg s SER 56 N -1.00 0.01 -0.10 1.61 0.01 -1.26 -5.03 113.70 107.95 1sjg s SER 56 Ca 0.00 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 56.82 1sjg s SER 56 Cb 0.00 0.35 0.01 0.00 0.21 0.00 0.00 66.02 66.59 1sjg s SER 56 CO 0.00 -0.68 -0.16 -0.47 0.41 0.00 0.00 173.24 172.34 1sjg s TYR 57 N -3.31 1.94 0.33 2.43 5.04 -1.26 -1.15 117.35 121.36 1sjg s TYR 57 Ca 0.01 -0.84 0.09 0.00 -2.44 0.00 0.00 57.07 53.88 1sjg s TYR 57 Cb 0.02 -1.38 -0.05 0.00 0.35 0.00 0.00 41.96 40.90 1sjg s TYR 57 CO -0.08 -0.41 0.02 -2.00 -1.34 0.00 0.00 175.55 171.74 1sjg s GLU 58 N 0.78 2.14 0.42 4.97 -6.30 0.11 -5.00 118.70 115.83 1sjg s GLU 58 Ca -0.11 -1.66 0.16 0.00 -2.50 0.00 0.00 54.97 50.86 1sjg s GLU 58 Cb -0.16 -2.00 1.04 0.00 0.00 0.00 0.00 34.13 33.01 1sjg s GLU 58 CO 0.02 0.18 1.89 0.78 0.02 0.00 0.00 175.26 178.14 1sjg h GLY 59 N 1.80 0.83 0.00 -1.50 0.00 -2.01 -3.05 103.07 99.14 1sjg h GLY 59 Ca -0.43 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1sjg h GLY 59 CO 0.65 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.83 1sjg n GLY 60 N -1.51 -0.62 3.07 4.60 0.00 -1.26 -4.77 105.19 104.71 1sjg n GLY 60 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.25 1.55 -0.10 1.61 1.01 -1.15 -4.44 120.40 118.63 1sjg s VAL 61 Ca 0.00 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 1sjg s VAL 61 Cb 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1sjg s VAL 61 CO 0.00 0.45 0.56 -0.63 0.00 0.00 0.00 175.10 175.48 1sjg s ILE 62 N 0.95 5.13 -0.37 2.22 -1.09 -1.23 -0.71 121.20 126.10 1sjg s ILE 62 Ca -0.07 1.13 -0.20 0.00 -2.23 0.00 0.00 60.65 59.28 1sjg s ILE 62 Cb -0.15 -3.89 0.01 0.00 -1.58 0.00 0.00 42.46 36.84 1sjg s ILE 62 CO -0.01 0.31 0.60 -0.89 -1.23 0.00 0.00 174.94 173.71 1sjg s THR 63 N 0.65 4.92 -0.14 2.92 2.01 -0.30 -2.53 115.64 123.16 1sjg s THR 63 Ca 0.30 0.40 -0.17 0.00 0.31 0.00 0.00 61.69 62.53 1sjg s THR 63 Cb -0.16 -4.07 -0.25 0.00 0.01 0.00 0.00 72.50 68.03 1sjg s THR 63 CO 0.13 -0.35 0.46 0.00 -0.69 0.00 0.00 174.62 174.18 1sjg n ARG 65 N -4.07 0.00 0.32 0.00 0.00 -1.26 -4.74 116.66 106.91 1sjg n ARG 65 Ca -0.26 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.42 1sjg n ARG 65 Cb 0.82 -0.44 -0.09 0.00 0.00 0.00 0.00 32.46 32.76 1sjg n ARG 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1sjg h ALA 66 N 0.00 -1.17 0.00 5.13 0.00 -1.92 -2.79 119.26 118.51 1sjg h ALA 66 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1sjg h ALA 66 Cb 0.00 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1sjg h ALA 66 CO 0.00 -1.17 0.00 1.12 0.00 0.00 0.00 179.25 179.20 1sjg h HIS 67 N -0.99 0.00 0.00 0.00 2.07 -1.93 -3.47 115.15 110.83 1sjg h HIS 67 Ca -0.07 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.45 1sjg h HIS 67 Cb 0.83 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.81 1sjg h HIS 67 CO -0.18 0.00 0.00 -0.11 -3.07 0.00 0.00 177.93 174.57 1sjg n LEU 68 N -2.98 0.00 0.00 6.12 7.94 -1.05 -5.02 117.00 122.01 1sjg n LEU 68 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1sjg n LEU 68 Cb 0.42 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.37 1sjg n LEU 68 CO 0.30 0.00 0.00 1.87 -1.11 0.00 0.00 177.39 178.45 1sjg n TRP 69 N 0.00 0.00 -3.94 1.96 -0.00 -1.26 -4.26 117.44 109.95 1sjg n TRP 69 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.50 57.14 1sjg n TRP 69 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.25 1sjg n TRP 69 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1sjg s THR 70 N 0.00 5.37 -0.01 5.87 -4.23 -1.26 -3.18 115.64 118.20 1sjg s THR 70 Ca 0.00 0.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.66 1sjg s THR 70 Cb 0.00 -3.35 -0.01 0.00 1.34 0.00 0.00 72.50 70.49 1sjg s THR 70 CO 0.00 0.59 -0.07 0.12 -0.54 0.00 0.00 174.62 174.72 1sjg s PHE 71 N -1.04 0.65 -0.33 3.99 5.36 -1.05 -4.29 117.98 121.27 1sjg s PHE 71 Ca 0.16 -0.12 -0.09 0.00 -0.96 0.00 0.00 56.93 55.92 1sjg s PHE 71 Cb -0.12 -0.42 0.01 0.00 -0.34 0.00 0.00 43.02 42.15 1sjg s PHE 71 CO 0.05 -0.01 0.14 1.21 -1.46 0.00 0.00 175.22 175.15 1sjg s ASN 72 N -0.16 5.42 0.10 6.13 3.84 0.45 -3.47 114.94 127.24 1sjg s ASN 72 Ca 0.03 -0.81 -0.24 0.00 0.21 0.00 0.00 52.86 52.06 1sjg s ASN 72 Cb -0.03 -1.95 -0.13 0.00 -0.55 0.00 0.00 41.25 38.60 1sjg s ASN 72 CO -0.00 -0.27 1.72 -0.78 -2.79 0.00 0.00 177.10 174.98 1sjg h ASP 73 N 8.32 -0.16 -0.93 -4.21 3.58 -1.80 -1.95 116.42 119.27 1sjg h ASP 73 Ca -0.29 0.02 0.26 0.00 0.42 0.00 0.00 57.03 57.45 1sjg h ASP 73 Cb 1.12 0.06 -0.16 0.00 1.72 0.00 0.00 39.33 42.07 1sjg h ASP 73 CO 0.62 -0.09 0.15 1.23 -2.88 0.00 0.00 179.24 178.27 1sjg h GLY 74 N -0.12 1.34 -0.54 -0.78 0.00 -1.93 0.96 103.07 102.00 1sjg h GLY 74 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1sjg h GLY 74 CO -0.03 -0.47 0.00 2.41 0.00 0.00 0.00 176.54 178.45 1sjg n THR 75 N -5.36 1.23 -3.64 4.70 -1.04 -1.25 -4.99 114.28 103.92 1sjg n THR 75 Ca 0.23 -1.24 -0.21 0.00 -2.04 0.00 0.00 64.05 60.79 1sjg n THR 75 Cb 0.76 0.34 0.04 0.00 -1.82 0.00 0.00 70.33 69.64 1sjg n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sjg n GLY 76 N -0.30 -0.41 3.18 3.41 0.00 0.33 -4.82 105.19 106.59 1sjg n GLY 76 Ca 0.08 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 1sjg n GLY 76 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1sjg s HIS 77 N -3.61 0.12 0.94 1.61 -3.43 -0.76 -0.69 115.29 109.47 1sjg s HIS 77 Ca 0.07 -0.45 -0.14 0.00 -0.80 0.00 0.00 55.06 53.74 1sjg s HIS 77 Cb -0.02 -0.06 0.16 0.00 -1.43 0.00 0.00 32.58 31.24 1sjg s HIS 77 CO 0.80 -0.47 1.21 0.20 -2.00 0.00 0.00 174.74 174.48 1sjg s GLY 78 N -2.45 1.65 0.06 -1.38 0.00 -1.20 -0.41 107.32 103.58 1sjg s GLY 78 Ca -0.00 -0.85 0.14 0.00 0.00 0.00 0.00 44.72 44.00 1sjg s GLY 78 CO -0.07 -0.20 0.89 -2.22 0.00 0.00 0.00 173.10 171.50 1sjg h ILE 79 N -1.56 0.82 -1.78 0.90 5.03 -1.92 -3.31 117.51 115.69 1sjg h ILE 79 Ca -0.46 -2.46 -0.15 0.00 -0.12 0.00 0.00 64.86 61.67 1sjg h ILE 79 Cb 1.29 2.32 -0.29 0.00 -3.03 0.00 0.00 36.82 37.11 1sjg h ILE 79 CO 0.51 0.47 -0.48 0.21 -0.68 0.00 0.00 178.15 178.18 1sjg s ASN 80 N -6.09 0.18 0.68 1.72 3.04 -1.26 -3.41 114.94 109.81 1sjg s ASN 80 Ca -0.02 0.09 -0.12 0.00 0.04 0.00 0.00 52.86 52.85 1sjg s ASN 80 Cb 0.08 1.18 0.01 0.00 -1.54 0.00 0.00 41.25 40.98 1sjg s ASN 80 CO 0.81 -0.31 1.07 -2.84 -3.04 0.00 0.00 177.10 172.79 1sjg s PRO 81 N 2.56 2.85 0.00 0.43 0.02 -1.26 -4.90 135.00 134.70 1sjg s PRO 81 Ca 0.12 1.12 0.18 0.00 0.02 0.00 0.00 61.00 62.45 1sjg s PRO 81 Cb -0.15 -1.97 -0.00 0.00 0.02 0.00 0.00 34.50 32.40 1sjg s PRO 81 CO -0.20 -1.18 0.92 -0.40 -0.33 0.00 0.00 177.00 175.81 1sjg n ASP 82 N -2.87 1.75 0.01 2.53 5.75 -1.22 -3.27 116.55 119.24 1sjg n ASP 82 Ca 0.09 -1.38 -0.11 0.00 -0.01 0.00 0.00 54.79 53.38 1sjg n ASP 82 Cb 0.53 0.46 -0.05 0.00 -1.03 0.00 0.00 41.12 41.04 1sjg n ASP 82 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1sjg h ASP 83 N 2.00 -1.04 -5.37 -1.12 3.58 -1.90 -3.44 116.42 109.13 1sjg h ASP 83 Ca 0.00 0.15 0.19 0.00 0.42 0.00 0.00 57.03 57.79 1sjg h ASP 83 Cb 0.61 0.44 -0.08 0.00 1.72 0.00 0.00 39.33 42.01 1sjg h ASP 83 CO 0.00 -0.38 0.52 0.00 -2.88 0.00 0.00 179.24 176.50 1sjg s LEU 86 N -2.17 3.11 -0.10 0.00 1.43 0.13 -2.64 118.68 118.45 1sjg s LEU 86 Ca 0.00 -0.98 -0.10 0.00 -1.03 0.00 0.00 54.13 52.02 1sjg s LEU 86 Cb 0.00 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 1sjg s LEU 86 CO 0.00 -0.39 0.24 0.00 0.23 0.00 0.00 176.35 176.43 1sjg s ALA 87 N -2.53 3.77 -0.36 4.21 0.00 -1.26 -4.67 121.76 120.91 1sjg s ALA 87 Ca 0.38 -0.50 -0.17 0.00 0.00 0.00 0.00 51.96 51.68 1sjg s ALA 87 Cb 0.01 -2.17 -0.00 0.00 0.00 0.00 0.00 23.12 20.96 1sjg s ALA 87 CO 0.22 0.46 0.44 -2.00 0.00 0.00 0.00 175.76 174.88 1sjg s GLU 88 N -0.71 3.48 -0.04 0.00 -6.30 -1.26 -3.07 118.70 110.79 1sjg s GLU 88 Ca 0.17 -0.40 -0.01 0.00 -2.50 0.00 0.00 54.97 52.23 1sjg s GLU 88 Cb -0.13 -3.84 -0.04 0.00 0.00 0.00 0.00 34.13 30.12 1sjg s GLU 88 CO 0.06 -0.65 0.03 0.71 0.02 0.00 0.00 175.26 175.43 1sjg s TYR 89 N 2.20 3.20 0.21 5.30 2.02 0.26 -4.94 117.35 125.60 1sjg s TYR 89 Ca 0.15 0.19 -0.31 0.00 -0.37 0.00 0.00 57.07 56.72 1sjg s TYR 89 Cb -0.16 -1.75 -0.10 0.00 -0.40 0.00 0.00 41.96 39.54 1sjg s TYR 89 CO 0.13 0.51 1.55 -2.14 -1.57 0.00 0.00 175.55 174.02 1sjg s PRO 90 N -1.31 4.21 0.04 -1.71 0.02 -1.25 -3.78 135.00 131.23 1sjg s PRO 90 Ca 0.18 2.39 0.03 0.00 0.02 0.00 0.00 61.00 63.62 1sjg s PRO 90 Cb -0.12 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 1sjg s PRO 90 CO 0.08 -0.57 -0.10 0.54 -0.33 0.00 0.00 177.00 176.61 1sjg s VAL 91 N 0.70 0.80 -0.04 3.83 0.11 -1.26 0.39 120.40 124.93 1sjg s VAL 91 Ca 0.67 -0.94 0.02 0.00 -2.93 0.00 0.00 61.98 58.80 1sjg s VAL 91 Cb -0.44 -0.77 0.01 0.00 -1.53 0.00 0.00 36.38 33.65 1sjg s VAL 91 CO 0.36 -0.14 -0.09 -1.61 -3.33 0.00 0.00 175.10 170.30 1sjg s GLU 92 N -1.20 1.14 -0.22 1.54 2.02 0.98 -4.99 118.70 117.98 1sjg s GLU 92 Ca -0.03 -0.29 -0.02 0.00 0.02 0.00 0.00 54.97 54.66 1sjg s GLU 92 Cb -0.08 -1.03 0.01 0.00 0.10 0.00 0.00 34.13 33.13 1sjg s GLU 92 CO 0.01 0.04 -0.09 0.54 0.02 0.00 0.00 175.26 175.78 1sjg s VAL 93 N 0.51 2.84 -0.48 2.63 0.11 -1.26 -0.69 120.40 124.05 1sjg s VAL 93 Ca -0.09 -0.79 0.04 0.00 -2.93 0.00 0.00 61.98 58.21 1sjg s VAL 93 Cb -0.12 -2.32 0.12 0.00 -1.53 0.00 0.00 36.38 32.53 1sjg s VAL 93 CO 0.01 0.38 0.22 -0.54 -3.33 0.00 0.00 175.10 171.84 1sjg s LYS 94 N 1.37 1.83 3.90 1.54 3.01 0.16 -4.97 119.74 126.59 1sjg s LYS 94 Ca 0.04 -2.44 0.00 0.00 -1.01 0.00 0.00 55.97 52.56 1sjg s LYS 94 Cb -0.15 -3.23 0.00 0.00 -1.01 0.00 0.00 37.83 33.45 1sjg s LYS 94 CO -0.06 -1.08 0.00 0.41 0.51 0.00 0.00 175.35 175.13 1sjg n GLY 95 N 3.36 0.96 0.02 -3.33 0.00 -1.26 -0.41 105.19 104.52 1sjg n GLY 95 Ca 0.05 0.38 0.08 0.00 0.00 0.00 0.00 46.02 46.52 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 7.46 0.80 -4.71 1.61 8.00 -1.26 -4.70 116.55 123.75 1sjg n ASP 96 Ca 0.00 -0.90 -0.36 0.00 0.71 0.00 0.00 54.79 54.25 1sjg n ASP 96 Cb 0.00 0.98 -0.08 0.00 -0.02 0.00 0.00 41.12 41.99 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 -2.49 6.19 -0.17 -2.24 1.11 0.45 0.28 116.67 119.80 1sjg s ASP 97 Ca 0.06 0.21 0.01 0.00 0.18 0.00 0.00 52.55 53.01 1sjg s ASP 97 Cb 0.12 -2.10 0.02 0.00 1.07 0.00 0.00 42.92 42.03 1sjg s ASP 97 CO 0.65 0.14 -0.20 -0.63 1.18 0.00 0.00 175.17 176.31 1sjg s ILE 98 N 0.59 2.10 -0.01 0.77 1.01 -0.58 0.39 121.20 125.47 1sjg s ILE 98 Ca 0.08 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 59.84 1sjg s ILE 98 Cb -0.12 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 1sjg s ILE 98 CO 0.00 0.54 -0.14 -0.31 0.00 0.00 0.00 174.94 175.04 1sjg s TYR 99 N 1.11 2.70 -0.01 3.97 1.51 0.13 -2.27 117.35 124.49 1sjg s TYR 99 Ca 0.01 -0.16 0.04 0.00 -1.01 0.00 0.00 57.07 55.95 1sjg s TYR 99 Cb -0.14 -1.58 -0.01 0.00 -0.11 0.00 0.00 41.96 40.12 1sjg s TYR 99 CO -0.09 0.24 -0.15 0.14 -1.11 0.00 0.00 175.55 174.59 1sjg s VAL 100 N -0.84 1.17 -0.25 0.71 -7.23 0.19 -0.01 120.40 114.13 1sjg s VAL 100 Ca 0.14 -0.63 -0.08 0.00 -1.81 0.00 0.00 61.98 59.60 1sjg s VAL 100 Cb -0.11 -0.98 -0.03 0.00 0.56 0.00 0.00 36.38 35.82 1sjg s VAL 100 CO 0.03 0.33 0.08 -0.55 -0.31 0.00 0.00 175.10 174.69 1sjg s SER 101 N -0.32 5.23 -0.06 4.85 0.15 0.16 -0.25 113.70 123.47 1sjg s SER 101 Ca 0.05 -0.18 0.19 0.00 0.70 0.00 0.00 55.95 56.70 1sjg s SER 101 Cb -0.06 -1.95 0.63 0.00 -1.71 0.00 0.00 66.02 62.93 1sjg s SER 101 CO -0.00 -0.04 1.54 1.07 1.20 0.00 0.00 173.24 177.01 1sjg n THR 102 N 4.94 1.46 -3.94 6.45 5.66 -1.03 -3.74 114.28 124.07 1sjg n THR 102 Ca -0.16 -1.14 -0.34 0.00 -3.05 0.00 0.00 64.05 59.36 1sjg n THR 102 Cb 0.51 0.29 -0.06 0.00 -1.55 0.00 0.00 70.33 69.53 1sjg n THR 102 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1sjg s LYS 103 N -1.49 3.37 0.00 1.09 2.20 -1.26 -4.35 119.74 119.30 1sjg s LYS 103 Ca 0.46 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1sjg s LYS 103 Cb 0.28 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.52 1sjg s LYS 103 CO 0.26 0.70 0.00 0.41 -0.36 0.00 0.00 175.35 176.35 1sjg n GLY 104 N 1.27 2.43 3.78 5.54 0.00 -1.26 -4.92 105.19 112.03 1sjg n GLY 104 Ca -0.14 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.56 5.23 -0.05 -0.61 1.09 -1.26 -5.10 121.20 119.94 1sjg s ILE 105 Ca 0.00 0.11 0.03 0.00 -1.10 0.00 0.00 60.65 59.69 1sjg s ILE 105 Cb 0.00 -3.31 -0.03 0.00 -1.06 0.00 0.00 42.46 38.07 1sjg s ILE 105 CO 0.00 0.55 -0.10 -0.22 -0.10 0.00 0.00 174.94 175.07 1sjg s LEU 106 N -0.48 2.97 0.26 2.97 0.20 -1.26 -4.91 118.68 118.43 1sjg s LEU 106 Ca 0.11 -0.12 -0.29 0.00 0.69 0.00 0.00 54.13 54.52 1sjg s LEU 106 Cb -0.12 -1.64 -0.14 0.00 -0.43 0.00 0.00 46.19 43.86 1sjg s LEU 106 CO 0.02 0.34 1.02 -2.65 -0.29 0.00 0.00 176.35 174.79 1sjg n PRO 107 N 2.14 1.26 -1.47 0.98 -0.02 -1.26 -4.89 135.00 131.74 1sjg n PRO 107 Ca -0.17 0.44 -0.22 0.00 -2.02 0.00 0.00 63.50 61.53 1sjg n PRO 107 Cb 0.53 -1.82 0.15 0.00 -0.02 0.00 0.00 33.50 32.33 1sjg n PRO 107 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1sjg n ASN 108 N 1.44 0.14 0.16 2.55 2.85 -1.26 -4.86 115.26 116.28 1sjg n ASN 108 Ca 0.11 -1.39 0.05 0.00 -0.11 0.00 0.00 54.58 53.24 1sjg n ASN 108 Cb 0.30 -0.74 0.27 0.00 1.24 0.00 0.00 39.78 40.85 1sjg n ASN 108 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1sjg n LYS 109 N -3.06 0.07 -1.51 1.20 4.01 -1.26 -4.67 118.16 112.94 1sjg n LYS 109 Ca 0.12 0.54 -0.40 0.00 -0.51 0.00 0.00 58.31 58.06 1sjg n LYS 109 Cb 0.43 -2.12 0.02 0.00 -0.51 0.00 0.00 35.03 32.85 1sjg n LYS 109 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1sjg n ALA 110 N -1.49 -0.81 -2.48 7.82 0.00 -1.08 -4.06 120.51 118.41 1sjg n ALA 110 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 53.44 53.53 1sjg n ALA 110 Cb 0.41 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1sjg n ALA 110 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1sjg n HIS 111 N -1.04 -2.18 0.92 0.00 -0.00 -0.18 -4.73 115.22 108.01 1sjg n HIS 111 Ca 0.11 0.85 0.11 0.00 -0.00 0.00 0.00 57.72 58.80 1sjg n HIS 111 Cb 0.42 -3.26 0.09 0.00 -0.00 0.00 0.00 29.99 27.25 1sjg n HIS 111 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79