#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 0.88 -4.55 6.12 2.88 -1.26 -3.68 113.62 114.01 1sjg n SER 2 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1sjg n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1sjg n SER 2 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1sjg s PHE 3 N 0.54 2.34 -0.02 0.66 0.40 -1.26 -0.87 117.98 119.76 1sjg s PHE 3 Ca 0.00 -0.23 -0.00 0.00 -0.60 0.00 0.00 56.93 56.10 1sjg s PHE 3 Cb 0.00 -4.64 -0.04 0.00 0.51 0.00 0.00 43.02 38.86 1sjg s PHE 3 CO 0.00 -2.04 0.03 -1.21 0.70 0.00 0.00 175.22 172.70 1sjg s GLU 4 N 5.55 2.94 -0.08 0.44 8.01 0.78 -4.82 118.70 131.53 1sjg s GLU 4 Ca 0.37 -0.51 -0.30 0.00 0.01 0.00 0.00 54.97 54.55 1sjg s GLU 4 Cb -0.06 -2.78 -0.03 0.00 -4.31 0.00 0.00 34.13 26.95 1sjg s GLU 4 CO 0.10 0.65 1.23 0.21 0.01 0.00 0.00 175.26 177.46 1sjg s LYS 5 N -1.45 4.32 -0.14 1.61 2.20 -1.26 0.01 119.74 125.03 1sjg s LYS 5 Ca 0.19 1.69 -0.16 0.00 -0.36 0.00 0.00 55.97 57.33 1sjg s LYS 5 Cb -0.12 -3.61 -0.14 0.00 -1.51 0.00 0.00 37.83 32.46 1sjg s LYS 5 CO 0.09 -0.52 0.31 0.97 -0.36 0.00 0.00 175.35 175.85 1sjg h ILE 6 N 5.11 0.87 -1.78 5.43 6.09 -1.86 -3.43 117.51 127.94 1sjg h ILE 6 Ca -0.33 -1.74 0.09 0.00 -1.37 0.00 0.00 64.86 61.51 1sjg h ILE 6 Cb 1.15 1.73 -0.02 0.00 0.47 0.00 0.00 36.82 40.15 1sjg h ILE 6 CO 0.90 0.29 0.28 0.00 -3.07 0.00 0.00 178.15 176.55 1sjg s SER 8 N -2.00 6.19 0.52 0.00 1.04 -1.26 -1.73 113.70 116.46 1sjg s SER 8 Ca 0.10 0.18 0.35 0.00 0.48 0.00 0.00 55.95 57.07 1sjg s SER 8 Cb -0.01 -1.85 1.91 0.00 0.10 0.00 0.00 66.02 66.18 1sjg s SER 8 CO 0.01 0.14 2.08 0.25 0.98 0.00 0.00 173.24 176.70 1sjg h LEU 9 N 2.85 0.00 -1.96 2.42 5.85 -1.16 0.23 115.31 123.54 1sjg h LEU 9 Ca -0.46 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 1sjg h LEU 9 Cb 1.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1sjg h LEU 9 CO 0.72 0.00 -0.11 -0.78 -0.34 0.00 0.00 178.44 177.93 1sjg h ASP 10 N 0.00 0.00 0.06 1.25 3.58 -1.86 -3.17 116.42 116.27 1sjg h ASP 10 Ca 0.00 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.10 1sjg h ASP 10 Cb 0.01 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 1sjg h ASP 10 CO 0.00 0.11 -1.96 0.47 -2.88 0.00 0.00 179.24 174.98 1sjg n ASP 11 N -3.79 2.01 -4.55 2.28 8.00 0.78 -4.86 116.55 116.42 1sjg n ASP 11 Ca -0.02 0.22 -0.39 0.00 0.71 0.00 0.00 54.79 55.30 1sjg n ASP 11 Cb 0.21 -0.80 -0.11 0.00 -0.02 0.00 0.00 41.12 40.40 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 -2.50 5.25 0.40 0.53 1.10 -1.05 -5.07 121.20 119.87 1sjg s ILE 12 Ca -0.28 -0.08 0.08 0.00 -0.51 0.00 0.00 60.65 59.86 1sjg s ILE 12 Cb 0.08 -3.62 -0.02 0.00 0.15 0.00 0.00 42.46 39.05 1sjg s ILE 12 CO 0.66 0.10 0.38 0.26 -2.11 0.00 0.00 174.94 174.23 1sjg s TRP 13 N 1.73 2.76 -0.04 3.50 0.52 -1.26 -4.62 118.94 121.53 1sjg s TRP 13 Ca 0.06 -0.44 -0.30 0.00 0.02 0.00 0.00 56.10 55.44 1sjg s TRP 13 Cb -0.17 -2.12 -0.05 0.00 -1.15 0.00 0.00 33.47 29.98 1sjg s TRP 13 CO 0.10 -0.09 1.38 0.08 0.02 0.00 0.00 176.95 178.44 1sjg s VAL 14 N -2.42 3.86 0.00 4.03 1.01 -1.26 -1.74 120.40 123.87 1sjg s VAL 14 Ca 0.47 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1sjg s VAL 14 Cb -0.05 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1sjg s VAL 14 CO 0.28 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1sjg n GLY 15 N 3.66 0.53 3.88 4.51 0.00 0.10 -4.97 105.19 112.91 1sjg n GLY 15 Ca 0.13 0.00 -0.21 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 -0.83 3.00 -0.14 1.61 0.41 -0.71 -4.96 118.70 117.07 1sjg s GLU 16 Ca 0.00 -1.06 -0.11 0.00 -0.41 0.00 0.00 54.97 53.39 1sjg s GLU 16 Cb 0.00 -2.64 0.04 0.00 -1.78 0.00 0.00 34.13 29.75 1sjg s GLU 16 CO 0.00 0.27 0.37 0.00 -0.49 0.00 0.00 175.26 175.41 1sjg s MET 17 N -3.96 0.40 0.02 1.61 0.23 -1.26 -1.44 119.30 114.91 1sjg s MET 17 Ca 0.37 0.57 -0.11 0.00 -1.03 0.00 0.00 55.69 55.50 1sjg s MET 17 Cb -0.08 0.13 0.01 0.00 -1.53 0.00 0.00 34.83 33.36 1sjg s MET 17 CO 0.27 -0.09 0.22 -2.00 -2.03 0.00 0.00 175.02 171.40 1sjg s GLU 18 N 0.56 0.67 -0.18 3.16 2.56 -0.20 -4.47 118.70 120.80 1sjg s GLU 18 Ca -0.03 -0.48 -0.13 0.00 0.00 0.00 0.00 54.97 54.33 1sjg s GLU 18 Cb -0.05 0.28 -0.05 0.00 2.00 0.00 0.00 34.13 36.32 1sjg s GLU 18 CO -0.03 -0.19 0.25 0.99 -0.56 0.00 0.00 175.26 175.72 1sjg s THR 19 N -2.09 5.33 0.05 -1.70 2.01 -1.26 -0.07 115.64 117.90 1sjg s THR 19 Ca -0.09 0.44 -0.01 0.00 0.31 0.00 0.00 61.69 62.35 1sjg s THR 19 Cb -0.03 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1sjg s THR 19 CO -0.01 0.39 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.91 1sjg s PHE 20 N 0.57 0.49 -0.02 4.92 0.08 0.08 -4.98 117.98 119.12 1sjg s PHE 20 Ca 0.14 -0.95 0.01 0.00 0.12 0.00 0.00 56.93 56.25 1sjg s PHE 20 Cb -0.13 -0.36 -0.04 0.00 -0.57 0.00 0.00 43.02 41.93 1sjg s PHE 20 CO 0.03 -0.33 -0.01 -2.00 -0.10 0.00 0.00 175.22 172.81 1sjg s GLU 21 N -3.42 2.80 0.72 0.44 2.12 -1.26 -0.25 118.70 119.85 1sjg s GLU 21 Ca 0.03 -0.58 -0.09 0.00 0.36 0.00 0.00 54.97 54.68 1sjg s GLU 21 Cb 0.04 -2.67 0.05 0.00 0.26 0.00 0.00 34.13 31.81 1sjg s GLU 21 CO -0.08 0.64 1.06 0.95 -0.54 0.00 0.00 175.26 177.29 1sjg s THR 22 N -1.04 2.52 0.05 -1.70 -4.23 0.10 -4.93 115.64 106.41 1sjg s THR 22 Ca 0.18 -0.05 0.33 0.00 -1.18 0.00 0.00 61.69 60.97 1sjg s THR 22 Cb -0.11 -3.12 0.36 0.00 1.34 0.00 0.00 72.50 70.97 1sjg s THR 22 CO 0.09 -0.14 1.97 0.28 -0.54 0.00 0.00 174.62 176.27 1sjg h SER 23 N -0.70 0.00 1.04 3.99 0.02 -1.89 -1.74 113.55 114.27 1sjg h SER 23 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1sjg h SER 23 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1sjg h SER 23 CO 0.63 0.00 -0.30 -0.67 -1.14 0.00 0.00 176.83 175.35 1sjg n ASP 24 N -2.87 0.59 0.00 3.07 -0.08 -1.26 -4.92 116.55 111.08 1sjg n ASP 24 Ca 0.00 0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 1sjg n ASP 24 Cb 0.24 -0.25 0.00 0.00 2.34 0.00 0.00 41.12 43.45 1sjg n ASP 24 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sjg n GLY 25 N 1.38 0.97 3.68 0.27 0.00 -0.65 -4.97 105.19 105.87 1sjg n GLY 25 Ca 0.05 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.19 2.61 2.01 -1.26 -4.83 115.64 117.27 1sjg s THR 26 Ca 0.00 0.43 -0.21 0.00 0.31 0.00 0.00 61.69 62.22 1sjg s THR 26 Cb 0.00 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 1sjg s THR 26 CO 0.00 0.33 0.63 -0.70 -0.69 0.00 0.00 174.62 174.18 1sjg s GLU 27 N 0.99 4.22 0.05 4.92 2.12 -1.26 0.01 118.70 129.74 1sjg s GLU 27 Ca 0.13 0.62 0.06 0.00 0.36 0.00 0.00 54.97 56.14 1sjg s GLU 27 Cb -0.14 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.66 1sjg s GLU 27 CO 0.05 -0.23 -0.17 0.08 -0.54 0.00 0.00 175.26 174.45 1sjg s VAL 28 N 1.86 1.39 -0.33 3.70 1.01 0.65 -1.67 120.40 127.01 1sjg s VAL 28 Ca 0.29 -1.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 1sjg s VAL 28 Cb -0.16 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.01 1sjg s VAL 28 CO 0.10 0.07 0.13 -0.22 0.00 0.00 0.00 175.10 175.18 1sjg s LEU 29 N -1.26 4.26 -0.28 3.92 0.20 0.93 -0.74 118.68 125.71 1sjg s LEU 29 Ca 0.04 -0.93 -0.15 0.00 0.69 0.00 0.00 54.13 53.78 1sjg s LEU 29 Cb -0.09 -1.92 -0.03 0.00 -0.43 0.00 0.00 46.19 43.72 1sjg s LEU 29 CO 0.02 -0.29 0.37 -0.63 -0.29 0.00 0.00 176.35 175.53 1sjg s ILE 30 N 1.48 5.17 -0.20 6.68 1.09 0.89 -1.99 121.20 134.33 1sjg s ILE 30 Ca 0.01 0.48 -0.04 0.00 -1.10 0.00 0.00 60.65 60.00 1sjg s ILE 30 Cb -0.19 -3.72 -0.02 0.00 -1.06 0.00 0.00 42.46 37.48 1sjg s ILE 30 CO 0.04 0.11 -0.03 0.54 -0.10 0.00 0.00 174.94 175.51 1sjg s VAL 31 N 2.07 3.69 -0.36 2.92 0.11 0.57 -1.03 120.40 128.37 1sjg s VAL 31 Ca 0.14 -0.40 -0.02 0.00 -2.93 0.00 0.00 61.98 58.78 1sjg s VAL 31 Cb -0.16 -2.66 0.08 0.00 -1.53 0.00 0.00 36.38 32.11 1sjg s VAL 31 CO 0.10 0.44 0.10 0.21 -3.33 0.00 0.00 175.10 172.62 1sjg s ASN 32 N 1.08 5.05 0.05 3.54 2.47 -0.52 -0.19 114.94 126.41 1sjg s ASN 32 Ca 0.02 -1.73 0.00 0.00 0.42 0.00 0.00 52.86 51.57 1sjg s ASN 32 Cb -0.15 -1.76 -0.04 0.00 -1.45 0.00 0.00 41.25 37.86 1sjg s ASN 32 CO 0.01 -0.41 0.15 -0.94 -3.72 0.00 0.00 177.10 172.19 1sjg s SER 33 N 1.48 6.01 0.14 -4.21 1.04 -0.14 0.01 113.70 118.03 1sjg s SER 33 Ca 0.03 0.18 -0.08 0.00 0.48 0.00 0.00 55.95 56.56 1sjg s SER 33 Cb -0.21 -1.77 -0.06 0.00 0.10 0.00 0.00 66.02 64.08 1sjg s SER 33 CO -0.03 0.20 1.37 -0.08 0.98 0.00 0.00 173.24 175.68 1sjg h GLU 34 N 3.40 0.65 0.00 4.02 4.81 -1.93 -0.94 114.58 124.59 1sjg h GLU 34 Ca -0.47 -0.51 -0.26 0.00 -0.13 0.00 0.00 59.36 57.99 1sjg h GLU 34 Cb 1.17 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.61 1sjg h GLU 34 CO 0.70 1.13 -1.43 1.49 -0.73 0.00 0.00 179.01 180.17 1sjg h GLU 35 N 0.45 0.01 0.00 1.92 4.81 -1.99 -3.37 114.58 116.41 1sjg h GLU 35 Ca -0.04 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 1sjg h GLU 35 Cb 1.33 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.70 1sjg h GLU 35 CO 0.14 0.71 -1.75 0.72 -0.73 0.00 0.00 179.01 178.10 1sjg n HIS 36 N -3.17 0.00 0.00 0.92 8.25 -1.25 -5.12 115.22 114.85 1sjg n HIS 36 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1sjg n HIS 36 Cb 1.01 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.67 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 1.86 -1.29 3.62 -1.41 0.00 -0.36 -4.93 105.19 102.68 1sjg n GLY 37 Ca -0.09 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.10 5.27 0.09 1.61 0.11 -1.26 -0.97 120.40 125.16 1sjg s VAL 38 Ca 0.00 0.34 0.09 0.00 -2.93 0.00 0.00 61.98 59.48 1sjg s VAL 38 Cb 0.00 -3.59 -0.04 0.00 -1.53 0.00 0.00 36.38 31.22 1sjg s VAL 38 CO 0.00 0.24 -0.22 -0.54 -3.33 0.00 0.00 175.10 171.26 1sjg s LYS 39 N 1.67 1.74 -0.21 1.54 3.01 0.73 -4.75 119.74 123.48 1sjg s LYS 39 Ca 0.10 -1.17 0.01 0.00 -1.01 0.00 0.00 55.97 53.90 1sjg s LYS 39 Cb -0.15 -2.05 0.05 0.00 -1.01 0.00 0.00 37.83 34.66 1sjg s LYS 39 CO 0.09 0.49 -0.09 0.00 0.51 0.00 0.00 175.35 176.35 1sjg s ALA 40 N -1.03 2.05 0.20 5.17 0.00 -1.25 -0.32 121.76 126.58 1sjg s ALA 40 Ca 0.15 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.86 1sjg s ALA 40 Cb -0.10 -1.34 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 1sjg s ALA 40 CO 0.07 -0.93 -0.04 1.52 0.00 0.00 0.00 175.76 176.38 1sjg s TYR 41 N 1.37 1.42 0.26 0.00 1.13 -0.84 0.02 117.35 120.71 1sjg s TYR 41 Ca -0.03 -0.88 -0.29 0.00 -1.41 0.00 0.00 57.07 54.46 1sjg s TYR 41 Cb -0.17 -0.79 -0.14 0.00 -1.10 0.00 0.00 41.96 39.75 1sjg s TYR 41 CO -0.07 -0.02 1.12 0.00 -2.51 0.00 0.00 175.55 174.06 1sjg n GLN 42 N -0.32 1.46 -0.23 -3.49 10.64 -1.25 -0.05 117.38 124.14 1sjg n GLN 42 Ca -0.07 0.51 0.08 0.00 -1.83 0.00 0.00 57.00 55.70 1sjg n GLN 42 Cb 0.63 -1.97 0.21 0.00 -0.86 0.00 0.00 30.24 28.25 1sjg n GLN 42 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1sjg n ALA 43 N 0.72 2.29 -2.34 2.61 0.00 -0.67 -4.38 120.51 118.73 1sjg n ALA 43 Ca 0.11 -1.14 -0.35 0.00 0.00 0.00 0.00 53.44 52.05 1sjg n ALA 43 Cb 0.31 -0.64 -0.04 0.00 0.00 0.00 0.00 19.45 19.08 1sjg n ALA 43 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1sjg s MET 44 N -1.05 3.17 -0.46 0.00 0.00 -1.26 -4.71 119.30 115.00 1sjg s MET 44 Ca 0.33 -0.90 0.07 0.00 0.00 0.00 0.00 55.69 55.19 1sjg s MET 44 Cb 0.18 -5.26 0.18 0.00 0.00 0.00 0.00 34.83 29.93 1sjg s MET 44 CO 0.23 -2.76 0.66 0.00 0.00 0.00 0.00 175.02 173.15 1sjg n PRO 46 N 3.75 1.20 0.13 0.00 -0.02 -1.26 -2.93 135.00 135.88 1sjg n PRO 46 Ca 0.14 -0.31 0.12 0.00 -2.02 0.00 0.00 63.50 61.43 1sjg n PRO 46 Cb 0.56 -1.26 0.09 0.00 -0.02 0.00 0.00 33.50 32.87 1sjg n PRO 46 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1sjg h HIS 47 N 0.59 0.00 -4.02 6.00 2.76 -1.93 -3.48 115.15 115.08 1sjg h HIS 47 Ca 0.00 0.00 -0.51 0.00 -2.20 0.00 0.00 60.37 57.66 1sjg h HIS 47 Cb 0.13 0.00 0.07 0.00 1.55 0.00 0.00 27.41 29.16 1sjg h HIS 47 CO 0.04 0.00 0.48 -1.14 -1.30 0.00 0.00 177.93 176.01 1sjg s GLN 48 N -3.28 3.65 -0.69 5.26 0.74 -1.15 -4.66 119.66 119.53 1sjg s GLN 48 Ca 0.03 1.77 -0.28 0.00 0.05 0.00 0.00 55.36 56.93 1sjg s GLN 48 Cb 0.09 -2.32 -0.13 0.00 1.10 0.00 0.00 33.01 31.75 1sjg s GLN 48 CO 0.74 -0.64 2.53 -1.91 -0.55 0.00 0.00 175.29 175.45 1sjg n GLU 49 N -0.67 0.64 0.00 1.67 4.07 -0.74 -4.49 120.64 121.12 1sjg n GLU 49 Ca 0.08 -0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1sjg n GLU 49 Cb 0.48 -2.69 0.00 0.00 -0.06 0.00 0.00 31.44 29.17 1sjg n GLU 49 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1sjg n ILE 50 N 7.81 0.00 -4.08 6.31 2.08 -1.26 -4.54 119.36 125.67 1sjg n ILE 50 Ca 0.48 0.00 -0.33 0.00 0.56 0.00 0.00 62.75 63.46 1sjg n ILE 50 Cb 0.35 0.00 -0.16 0.00 -0.75 0.00 0.00 39.64 39.08 1sjg n ILE 50 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1sjg s LEU 51 N 0.00 2.26 0.06 1.39 1.98 -1.26 -5.03 118.68 118.07 1sjg s LEU 51 Ca 0.00 -0.61 -0.23 0.00 -2.89 0.00 0.00 54.13 50.41 1sjg s LEU 51 Cb 0.00 -1.52 -0.14 0.00 0.66 0.00 0.00 46.19 45.18 1sjg s LEU 51 CO 0.00 -0.00 1.57 0.17 -1.89 0.00 0.00 176.35 176.19 1sjg h LEU 52 N 7.97 0.10 -0.56 -0.68 -0.00 -1.85 -2.12 115.31 118.16 1sjg h LEU 52 Ca -0.45 -0.20 -0.16 0.00 -0.00 0.00 0.00 57.88 57.07 1sjg h LEU 52 Cb 1.14 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.76 1sjg h LEU 52 CO 0.63 0.27 -0.70 0.77 -0.00 0.00 0.00 178.44 179.41 1sjg h SER 53 N -0.07 0.13 -0.50 0.17 4.64 -1.94 -1.86 113.55 114.11 1sjg h SER 53 Ca 0.02 -0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.18 1sjg h SER 53 Cb 0.21 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.21 1sjg h SER 53 CO -0.00 0.79 0.10 -0.62 -0.87 0.00 0.00 176.83 176.23 1sjg n GLU 54 N -3.75 3.57 0.00 4.77 1.02 -1.23 -4.44 120.64 120.58 1sjg n GLU 54 Ca -0.02 -2.38 0.00 0.00 -0.02 0.00 0.00 57.16 54.74 1sjg n GLU 54 Cb 0.69 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1sjg n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sjg n GLY 55 N 0.22 -1.65 3.44 0.62 0.00 -0.70 -4.91 105.19 102.22 1sjg n GLY 55 Ca 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.85 -0.70 -0.10 1.61 0.01 -1.26 -5.06 113.70 106.34 1sjg s SER 56 Ca 0.00 1.20 -0.00 0.00 1.31 0.00 0.00 55.95 58.46 1sjg s SER 56 Cb 0.00 1.24 0.02 0.00 0.21 0.00 0.00 66.02 67.49 1sjg s SER 56 CO 0.00 -0.22 -0.07 -0.47 0.41 0.00 0.00 173.24 172.90 1sjg s TYR 57 N 1.82 1.35 0.39 2.43 5.04 -1.26 -3.14 117.35 123.97 1sjg s TYR 57 Ca -0.08 -0.64 0.08 0.00 -2.44 0.00 0.00 57.07 53.99 1sjg s TYR 57 Cb -0.08 -1.15 -0.04 0.00 0.35 0.00 0.00 41.96 41.04 1sjg s TYR 57 CO -0.16 -0.47 0.25 -1.21 -1.34 0.00 0.00 175.55 172.61 1sjg s GLU 58 N 1.69 2.41 0.15 4.97 2.02 -0.47 -5.00 118.70 124.47 1sjg s GLU 58 Ca 0.04 -1.61 -0.23 0.00 0.02 0.00 0.00 54.97 53.19 1sjg s GLU 58 Cb -0.13 -2.21 0.01 0.00 0.10 0.00 0.00 34.13 31.90 1sjg s GLU 58 CO -0.07 -0.06 1.31 0.41 0.02 0.00 0.00 175.26 176.87 1sjg n GLY 59 N -1.33 -2.09 0.61 -1.39 0.00 -1.26 -2.13 105.19 97.61 1sjg n GLY 59 Ca -0.00 1.00 0.05 0.00 0.00 0.00 0.00 46.02 47.07 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 -1.26 3.03 3.05 -0.02 0.00 -1.26 -4.93 105.19 103.79 1sjg n GLY 60 Ca 0.04 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.64 1.61 -0.06 1.61 1.01 -0.90 -0.83 120.40 121.20 1sjg s VAL 61 Ca 0.26 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 1sjg s VAL 61 Cb 0.26 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 1sjg s VAL 61 CO -0.04 0.46 0.31 -0.63 0.00 0.00 0.00 175.10 175.20 1sjg s ILE 62 N 1.27 5.22 -0.17 2.22 -1.09 -0.80 -1.37 121.20 126.47 1sjg s ILE 62 Ca 0.00 0.61 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 1sjg s ILE 62 Cb -0.14 -3.61 0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1sjg s ILE 62 CO -0.07 0.55 -0.08 -0.89 -1.23 0.00 0.00 174.94 173.22 1sjg s THR 63 N -0.76 1.31 0.40 2.92 2.01 -1.19 -3.84 115.64 116.49 1sjg s THR 63 Ca 0.20 -0.73 0.35 0.00 0.31 0.00 0.00 61.69 61.82 1sjg s THR 63 Cb -0.15 -1.42 0.38 0.00 0.01 0.00 0.00 72.50 71.32 1sjg s THR 63 CO 0.09 0.18 2.15 0.00 -0.69 0.00 0.00 174.62 176.35 1sjg n ARG 65 N -3.29 -2.00 0.00 0.00 0.63 -1.26 -4.27 116.66 106.46 1sjg n ARG 65 Ca -0.01 1.63 0.00 0.00 -0.92 0.00 0.00 57.85 58.54 1sjg n ARG 65 Cb 0.20 -3.10 0.00 0.00 0.45 0.00 0.00 32.46 30.01 1sjg n ARG 65 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1sjg n ALA 66 N -0.09 0.00 -0.17 5.13 0.00 -1.26 -1.80 120.51 122.32 1sjg n ALA 66 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1sjg n ALA 66 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1sjg n ALA 66 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1sjg n HIS 67 N 0.00 0.00 -4.50 0.00 1.44 -1.26 -5.08 115.22 105.82 1sjg n HIS 67 Ca 0.00 -0.37 -0.25 0.00 -2.01 0.00 0.00 57.72 55.09 1sjg n HIS 67 Cb 0.00 -0.04 -0.10 0.00 0.12 0.00 0.00 29.99 29.97 1sjg n HIS 67 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 1sjg s LEU 68 N -0.74 2.68 -0.01 2.39 -0.00 -1.26 -4.64 118.68 117.11 1sjg s LEU 68 Ca 0.00 -1.11 -0.01 0.00 -0.00 0.00 0.00 54.13 53.01 1sjg s LEU 68 Cb 0.00 -1.06 -0.00 0.00 -0.00 0.00 0.00 46.19 45.13 1sjg s LEU 68 CO 0.00 -0.10 -0.02 1.87 -0.00 0.00 0.00 176.35 178.11 1sjg n TRP 69 N -0.72 0.02 -4.20 3.48 -0.00 0.47 -4.89 117.44 111.59 1sjg n TRP 69 Ca -0.05 0.01 -0.16 0.00 -0.00 0.00 0.00 57.50 57.30 1sjg n TRP 69 Cb 0.62 -0.11 -0.14 0.00 -0.00 0.00 0.00 31.31 31.68 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 -1.09 0.54 -0.01 5.87 -4.23 -1.23 -5.00 115.64 110.49 1sjg s THR 70 Ca -0.01 -0.44 0.02 0.00 -1.18 0.00 0.00 61.69 60.07 1sjg s THR 70 Cb 0.00 -0.48 0.00 0.00 1.34 0.00 0.00 72.50 73.36 1sjg s THR 70 CO 0.02 0.05 -0.05 0.12 -0.54 0.00 0.00 174.62 174.21 1sjg s PHE 71 N -0.39 0.54 -0.21 3.99 2.19 -1.25 -0.76 117.98 122.09 1sjg s PHE 71 Ca 0.00 -0.11 -0.11 0.00 0.33 0.00 0.00 56.93 57.04 1sjg s PHE 71 Cb -0.04 -0.38 -0.05 0.00 -1.31 0.00 0.00 43.02 41.24 1sjg s PHE 71 CO -0.00 -0.04 0.20 1.21 1.83 0.00 0.00 175.22 178.42 1sjg s ASN 72 N 0.04 6.22 0.05 6.13 3.84 0.24 -1.91 114.94 129.55 1sjg s ASN 72 Ca -0.00 0.25 -0.30 0.00 0.21 0.00 0.00 52.86 53.01 1sjg s ASN 72 Cb -0.04 -2.13 -0.18 0.00 -0.55 0.00 0.00 41.25 38.35 1sjg s ASN 72 CO -0.00 0.09 1.48 -0.78 -2.79 0.00 0.00 177.10 175.09 1sjg h ASP 73 N 7.13 -0.68 -0.15 -4.21 3.58 -1.28 0.23 116.42 121.04 1sjg h ASP 73 Ca -0.39 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.08 1sjg h ASP 73 Cb 1.16 0.18 -0.03 0.00 1.72 0.00 0.00 39.33 42.35 1sjg h ASP 73 CO 0.71 -0.41 -0.07 1.23 -2.88 0.00 0.00 179.24 177.82 1sjg h GLY 74 N -0.91 0.07 1.71 -0.78 0.00 -1.95 -2.56 103.07 98.65 1sjg h GLY 74 Ca -0.08 0.08 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1sjg h GLY 74 CO 0.13 -0.08 -1.20 -0.84 0.00 0.00 0.00 176.54 174.55 1sjg h THR 75 N -0.05 1.52 0.00 4.70 2.02 -1.96 -3.47 112.91 115.67 1sjg h THR 75 Ca 0.08 -3.17 0.00 0.00 0.77 0.00 0.00 66.41 64.09 1sjg h THR 75 Cb 0.17 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 1sjg h THR 75 CO -0.18 0.90 0.00 0.61 0.37 0.00 0.00 175.52 177.22 1sjg n GLY 76 N 1.47 0.47 3.78 2.16 0.00 0.06 -4.99 105.19 108.14 1sjg n GLY 76 Ca -0.06 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 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 3.41 0.07 1.61 5.65 -1.15 -1.54 115.29 121.35 1sjg s HIS 77 Ca 0.00 0.37 -0.18 0.00 0.25 0.00 0.00 55.06 55.50 1sjg s HIS 77 Cb 0.00 -1.91 -0.07 0.00 -1.18 0.00 0.00 32.58 29.42 1sjg s HIS 77 CO 0.00 0.58 0.54 0.20 -0.65 0.00 0.00 174.74 175.40 1sjg s GLY 78 N -0.79 2.61 -0.16 1.59 0.00 -1.25 -0.60 107.32 108.73 1sjg s GLY 78 Ca 0.13 -0.03 -0.22 0.00 0.00 0.00 0.00 44.72 44.60 1sjg s GLY 78 CO 0.03 0.36 0.48 -2.22 0.00 0.00 0.00 173.10 171.75 1sjg h ILE 79 N 3.45 1.21 -2.24 0.90 5.03 -1.24 -3.35 117.51 121.27 1sjg h ILE 79 Ca -0.50 -2.30 -0.20 0.00 -0.12 0.00 0.00 64.86 61.75 1sjg h ILE 79 Cb 1.21 2.71 -0.31 0.00 -3.03 0.00 0.00 36.82 37.40 1sjg h ILE 79 CO 0.63 0.52 -0.51 0.21 -0.68 0.00 0.00 178.15 178.32 1sjg s ASN 80 N -6.73 0.51 0.68 1.72 2.47 -0.99 -3.60 114.94 109.01 1sjg s ASN 80 Ca -0.23 0.22 -0.11 0.00 0.42 0.00 0.00 52.86 53.16 1sjg s ASN 80 Cb 0.03 0.89 -0.00 0.00 -1.45 0.00 0.00 41.25 40.72 1sjg s ASN 80 CO 0.67 -0.29 1.06 -2.84 -3.72 0.00 0.00 177.10 171.98 1sjg s PRO 81 N 2.48 3.06 0.10 0.43 0.02 -1.26 -0.39 135.00 139.43 1sjg s PRO 81 Ca 0.08 0.84 -0.13 0.00 0.02 0.00 0.00 61.00 61.81 1sjg s PRO 81 Cb -0.15 -2.01 -0.13 0.00 0.02 0.00 0.00 34.50 32.23 1sjg s PRO 81 CO -0.14 -0.98 1.34 0.22 -0.33 0.00 0.00 177.00 177.11 1sjg h ASP 82 N -0.63 0.89 -0.40 2.53 3.58 -1.69 -3.21 116.42 117.49 1sjg h ASP 82 Ca -0.44 -0.58 -0.15 0.00 0.42 0.00 0.00 57.03 56.27 1sjg h ASP 82 Cb 1.21 -0.26 -0.09 0.00 1.72 0.00 0.00 39.33 41.91 1sjg h ASP 82 CO 0.59 1.32 0.20 0.47 -2.88 0.00 0.00 179.24 178.93 1sjg n ASP 83 N -4.04 3.32 -1.14 2.28 8.00 -1.26 -3.77 116.55 119.93 1sjg n ASP 83 Ca -0.06 -2.64 0.11 0.00 0.71 0.00 0.00 54.79 52.91 1sjg n ASP 83 Cb 0.66 -0.63 0.23 0.00 -0.02 0.00 0.00 41.12 41.35 1sjg n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sjg n LEU 86 N -0.60 0.00 -3.89 0.00 -0.00 -0.59 -4.39 117.00 107.53 1sjg n LEU 86 Ca 0.09 -2.08 -0.29 0.00 -0.00 0.00 0.00 56.01 53.73 1sjg n LEU 86 Cb 0.51 -0.30 -0.16 0.00 -0.00 0.00 0.00 43.42 43.47 1sjg n LEU 86 CO 0.50 -0.65 -0.42 0.00 -0.00 0.00 0.00 177.39 176.82 1sjg s ALA 87 N -2.58 1.57 -0.26 1.47 0.00 -1.26 -4.83 121.76 115.87 1sjg s ALA 87 Ca 0.46 -0.95 -0.18 0.00 0.00 0.00 0.00 51.96 51.29 1sjg s ALA 87 Cb -0.04 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 1sjg s ALA 87 CO 0.29 -0.91 0.51 -1.83 0.00 0.00 0.00 175.76 173.82 1sjg s GLU 88 N 1.59 4.07 -0.12 0.00 -1.05 -1.26 -3.76 118.70 118.17 1sjg s GLU 88 Ca -0.01 0.31 -0.18 0.00 -0.15 0.00 0.00 54.97 54.94 1sjg s GLU 88 Cb -0.16 -3.65 -0.04 0.00 -0.44 0.00 0.00 34.13 29.84 1sjg s GLU 88 CO -0.07 -0.33 0.49 0.71 0.95 0.00 0.00 175.26 177.00 1sjg s TYR 89 N 2.24 3.51 -0.11 4.83 2.02 0.10 -4.97 117.35 124.97 1sjg s TYR 89 Ca 0.21 0.90 -0.35 0.00 -0.37 0.00 0.00 57.07 57.45 1sjg s TYR 89 Cb -0.16 -2.57 -0.13 0.00 -0.40 0.00 0.00 41.96 38.71 1sjg s TYR 89 CO 0.09 0.15 1.83 -2.30 -1.57 0.00 0.00 175.55 173.75 1sjg n PRO 90 N 3.75 1.94 -4.27 -1.71 -0.02 -1.23 -3.96 135.00 129.50 1sjg n PRO 90 Ca -0.07 0.71 -0.34 0.00 -2.02 0.00 0.00 63.50 61.78 1sjg n PRO 90 Cb 0.52 -2.52 -0.11 0.00 -0.02 0.00 0.00 33.50 31.37 1sjg n PRO 90 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sjg s VAL 91 N 3.71 4.25 -0.33 -1.45 1.01 -1.26 -0.43 120.40 125.89 1sjg s VAL 91 Ca 0.93 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.61 1sjg s VAL 91 Cb -0.78 -2.86 0.04 0.00 0.00 0.00 0.00 36.38 32.77 1sjg s VAL 91 CO 0.54 0.50 0.10 -1.61 0.00 0.00 0.00 175.10 174.63 1sjg s GLU 92 N 0.14 2.68 -0.25 2.72 0.41 0.12 -5.01 118.70 119.50 1sjg s GLU 92 Ca 0.01 -1.14 -0.02 0.00 -0.41 0.00 0.00 54.97 53.41 1sjg s GLU 92 Cb -0.13 -3.45 0.02 0.00 -1.78 0.00 0.00 34.13 28.79 1sjg s GLU 92 CO 0.02 -0.64 -0.05 0.54 -0.49 0.00 0.00 175.26 174.64 1sjg s VAL 93 N 1.42 3.03 0.06 2.63 0.11 -1.26 -0.87 120.40 125.52 1sjg s VAL 93 Ca -0.01 -0.93 0.07 0.00 -2.93 0.00 0.00 61.98 58.18 1sjg s VAL 93 Cb -0.19 -2.52 -0.03 0.00 -1.53 0.00 0.00 36.38 32.11 1sjg s VAL 93 CO 0.03 0.22 -0.19 -1.59 -3.33 0.00 0.00 175.10 170.23 1sjg s LYS 94 N 1.36 1.19 -0.26 1.54 0.00 -0.68 -5.04 119.74 117.84 1sjg s LYS 94 Ca 0.01 -0.99 -0.42 0.00 0.00 0.00 0.00 55.97 54.58 1sjg s LYS 94 Cb -0.16 -1.34 -0.19 0.00 0.00 0.00 0.00 37.83 36.14 1sjg s LYS 94 CO -0.04 0.33 1.29 0.41 0.00 0.00 0.00 175.35 177.34 1sjg n GLY 95 N 1.57 -0.02 4.01 0.59 0.00 -1.26 -0.38 105.19 109.70 1sjg n GLY 95 Ca -0.18 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 2.73 0.00 -3.82 1.61 8.00 -1.26 -4.97 116.55 118.84 1sjg n ASP 96 Ca 0.25 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.62 1sjg n ASP 96 Cb 0.00 -0.03 -0.11 0.00 -0.02 0.00 0.00 41.12 40.96 1sjg n ASP 96 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1sjg s ASP 97 N -1.13 -0.14 -0.08 -2.24 2.15 0.49 -0.74 116.67 114.96 1sjg s ASP 97 Ca 0.00 0.21 0.02 0.00 0.43 0.00 0.00 52.55 53.21 1sjg s ASP 97 Cb 0.00 0.35 0.02 0.00 -0.30 0.00 0.00 42.92 42.99 1sjg s ASP 97 CO 0.00 -0.19 -0.12 -0.63 -0.17 0.00 0.00 175.17 174.06 1sjg s ILE 98 N -0.43 1.21 0.15 4.11 1.01 -0.70 -1.69 121.20 124.85 1sjg s ILE 98 Ca -0.05 -0.49 0.11 0.00 0.00 0.00 0.00 60.65 60.21 1sjg s ILE 98 Cb -0.04 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 1sjg s ILE 98 CO 0.01 0.38 -0.25 -0.72 0.00 0.00 0.00 174.94 174.36 1sjg s TYR 99 N 0.92 2.34 0.02 3.97 1.13 -0.05 -2.73 117.35 122.95 1sjg s TYR 99 Ca -0.09 -0.36 0.02 0.00 -1.41 0.00 0.00 57.07 55.23 1sjg s TYR 99 Cb -0.15 -1.23 -0.01 0.00 -1.10 0.00 0.00 41.96 39.46 1sjg s TYR 99 CO 0.00 0.40 -0.07 0.54 -2.51 0.00 0.00 175.55 173.91 1sjg s VAL 100 N -1.26 0.48 -0.21 -3.49 0.11 0.10 0.11 120.40 116.24 1sjg s VAL 100 Ca 0.17 -0.61 -0.15 0.00 -2.93 0.00 0.00 61.98 58.46 1sjg s VAL 100 Cb -0.09 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 1sjg s VAL 100 CO 0.08 -0.10 0.36 -0.55 -3.33 0.00 0.00 175.10 171.56 1sjg s SER 101 N -0.77 6.38 -0.10 3.54 0.15 0.43 -0.15 113.70 123.17 1sjg s SER 101 Ca -0.03 0.44 0.14 0.00 0.70 0.00 0.00 55.95 57.20 1sjg s SER 101 Cb -0.06 -2.21 0.42 0.00 -1.71 0.00 0.00 66.02 62.47 1sjg s SER 101 CO 0.00 -0.06 1.34 0.41 1.20 0.00 0.00 173.24 176.13 1sjg n THR 102 N 4.39 1.70 -1.92 6.45 -1.04 -0.05 -3.56 114.28 120.25 1sjg n THR 102 Ca -0.09 -1.48 -0.43 0.00 -2.04 0.00 0.00 64.05 60.01 1sjg n THR 102 Cb 0.51 0.09 -0.03 0.00 -1.82 0.00 0.00 70.33 69.08 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 -1.99 3.32 0.00 -2.82 2.20 -1.24 -2.46 119.74 116.74 1sjg s LYS 103 Ca 0.33 1.58 0.00 0.00 -0.36 0.00 0.00 55.97 57.52 1sjg s LYS 103 Cb 0.24 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 1sjg s LYS 103 CO 0.12 -1.88 0.00 0.41 -0.36 0.00 0.00 175.35 173.64 1sjg n GLY 104 N 5.46 0.47 3.08 5.54 0.00 -1.26 -4.96 105.19 113.52 1sjg n GLY 104 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.15 2.33 0.25 -0.61 1.01 -1.03 -5.09 121.20 115.91 1sjg s ILE 105 Ca 0.00 -1.68 -0.02 0.00 0.00 0.00 0.00 60.65 58.96 1sjg s ILE 105 Cb 0.00 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1sjg s ILE 105 CO 0.00 -0.11 0.46 -0.76 0.00 0.00 0.00 174.94 174.53 1sjg s LEU 106 N 1.10 4.15 0.28 2.97 1.02 -1.26 -4.86 118.68 122.08 1sjg s LEU 106 Ca -0.06 0.49 -0.29 0.00 0.02 0.00 0.00 54.13 54.28 1sjg s LEU 106 Cb -0.20 -3.29 -0.14 0.00 0.02 0.00 0.00 46.19 42.59 1sjg s LEU 106 CO -0.05 -0.13 1.18 -2.65 0.02 0.00 0.00 176.35 174.72 1sjg n PRO 107 N -0.95 1.65 -1.84 1.29 -0.02 -1.26 -4.88 135.00 128.99 1sjg n PRO 107 Ca -0.04 0.58 -0.29 0.00 -2.02 0.00 0.00 63.50 61.73 1sjg n PRO 107 Cb 0.54 -2.08 0.10 0.00 -0.02 0.00 0.00 33.50 32.04 1sjg n PRO 107 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1sjg s ASN 108 N -0.25 4.36 0.63 2.55 3.84 -1.26 -4.84 114.94 119.96 1sjg s ASN 108 Ca 0.62 0.82 0.29 0.00 0.21 0.00 0.00 52.86 54.80 1sjg s ASN 108 Cb -0.68 -1.34 1.52 0.00 -0.55 0.00 0.00 41.25 40.20 1sjg s ASN 108 CO 0.57 -2.00 1.89 0.50 -2.79 0.00 0.00 177.10 175.28 1sjg h LYS 109 N -1.12 0.00 0.00 0.43 3.64 -1.88 0.20 116.57 117.84 1sjg h LYS 109 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1sjg h LYS 109 Cb 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1sjg h LYS 109 CO 0.65 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.83 1sjg h ALA 110 N 1.38 1.00 -1.34 5.00 0.00 -1.77 -3.42 119.26 120.11 1sjg h ALA 110 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.61 1sjg h ALA 110 Cb 0.94 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1sjg h ALA 110 CO -0.00 0.00 1.27 -3.38 0.00 0.00 0.00 179.25 177.14 1sjg s HIS 111 N -3.57 1.34 0.00 0.00 -3.43 0.05 -4.96 115.29 104.73 1sjg s HIS 111 Ca 0.00 1.27 0.00 0.00 -0.80 0.00 0.00 55.06 55.53 1sjg s HIS 111 Cb 0.09 -3.78 0.00 0.00 -1.43 0.00 0.00 32.58 27.46 1sjg s HIS 111 CO 0.35 -2.27 0.00 0.45 -2.00 0.00 0.00 174.74 171.26