#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 -4.68 6.12 7.64 0.48 -4.73 113.62 118.46 1sjg n SER 2 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1sjg n SER 2 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 3.44 0.06 1.43 0.08 -1.26 -0.67 117.98 121.06 1sjg s PHE 3 Ca 0.00 1.17 0.09 0.00 0.12 0.00 0.00 56.93 58.31 1sjg s PHE 3 Cb 0.00 -2.92 -0.03 0.00 -0.57 0.00 0.00 43.02 39.50 1sjg s PHE 3 CO 0.00 -0.16 -0.26 -2.00 -0.10 0.00 0.00 175.22 172.70 1sjg s GLU 4 N 1.82 1.73 -0.28 0.44 2.12 0.74 -4.88 118.70 120.40 1sjg s GLU 4 Ca 0.36 -1.13 -0.26 0.00 0.36 0.00 0.00 54.97 54.29 1sjg s GLU 4 Cb -0.17 -1.95 0.01 0.00 0.26 0.00 0.00 34.13 32.28 1sjg s GLU 4 CO 0.13 0.50 0.93 0.21 -0.54 0.00 0.00 175.26 176.49 1sjg s LYS 5 N -1.34 4.11 -0.02 4.30 2.36 -1.26 -1.28 119.74 126.60 1sjg s LYS 5 Ca 0.12 0.97 0.00 0.00 -2.55 0.00 0.00 55.97 54.51 1sjg s LYS 5 Cb -0.10 -3.69 -0.01 0.00 -1.05 0.00 0.00 37.83 32.97 1sjg s LYS 5 CO 0.03 -0.69 -0.02 1.51 1.55 0.00 0.00 175.35 177.72 1sjg n ILE 6 N 5.51 0.13 -3.92 5.43 3.06 -1.19 -4.99 119.36 123.40 1sjg n ILE 6 Ca 0.08 -0.05 -0.09 0.00 -2.50 0.00 0.00 62.75 60.20 1sjg n ILE 6 Cb 0.47 -0.65 -0.02 0.00 0.54 0.00 0.00 39.64 39.98 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 -2.18 1.55 0.41 0.00 0.01 -1.26 -0.47 113.70 111.76 1sjg s SER 8 Ca 0.17 -0.63 0.21 0.00 1.31 0.00 0.00 55.95 57.01 1sjg s SER 8 Cb -0.00 -0.03 0.81 0.00 0.21 0.00 0.00 66.02 67.00 1sjg s SER 8 CO 0.12 -0.11 1.79 0.25 0.41 0.00 0.00 173.24 175.70 1sjg h LEU 9 N 4.23 0.00 -0.90 2.44 6.46 -0.31 0.04 115.31 127.28 1sjg h LEU 9 Ca -0.40 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 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 0.42 0.30 0.00 -0.78 -0.62 0.00 0.00 178.44 177.76 1sjg h ASP 10 N 0.00 0.00 0.00 1.25 3.58 -1.44 -3.12 116.42 116.69 1sjg h ASP 10 Ca -0.00 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 1sjg h ASP 10 Cb 0.81 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 1sjg h ASP 10 CO 0.04 0.00 -0.83 -0.78 -2.88 0.00 0.00 179.24 174.78 1sjg h ASP 11 N 0.00 0.00 -3.65 2.28 1.82 -1.40 -3.43 116.42 112.03 1sjg h ASP 11 Ca 0.00 -0.39 -0.70 0.00 -0.39 0.00 0.00 57.03 55.56 1sjg h ASP 11 Cb 0.54 0.00 -0.28 0.00 0.68 0.00 0.00 39.33 40.27 1sjg h ASP 11 CO 0.00 1.17 -0.59 0.27 -1.61 0.00 0.00 179.24 178.48 1sjg s ILE 12 N -2.26 3.97 0.80 2.25 -4.36 -0.14 -5.01 121.20 116.44 1sjg s ILE 12 Ca -0.22 -1.06 -0.12 0.00 -0.26 0.00 0.00 60.65 58.99 1sjg s ILE 12 Cb 0.03 -3.23 0.08 0.00 1.25 0.00 0.00 42.46 40.59 1sjg s ILE 12 CO 0.46 -0.19 1.17 0.26 0.24 0.00 0.00 174.94 176.88 1sjg s TRP 13 N 1.44 2.94 0.11 1.37 0.52 -1.18 -4.42 118.94 119.71 1sjg s TRP 13 Ca -0.01 0.72 -0.33 0.00 0.02 0.00 0.00 56.10 56.50 1sjg s TRP 13 Cb -0.19 -3.48 -0.13 0.00 -1.15 0.00 0.00 33.47 28.52 1sjg s TRP 13 CO 0.04 -1.76 1.70 1.55 0.02 0.00 0.00 176.95 178.49 1sjg n VAL 14 N -3.30 0.18 -0.39 4.03 3.14 -1.26 -0.25 118.33 120.49 1sjg n VAL 14 Ca 0.08 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 1sjg n VAL 14 Cb 0.61 -1.75 0.00 0.00 -1.06 0.00 0.00 33.84 31.64 1sjg n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1sjg n GLY 15 N 3.81 0.85 3.65 7.55 0.00 0.25 -5.01 105.19 116.29 1sjg n GLY 15 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.53 2.39 0.01 1.61 2.02 0.66 -4.94 118.70 119.91 1sjg s GLU 16 Ca 0.00 -0.91 -0.15 0.00 0.02 0.00 0.00 54.97 53.93 1sjg s GLU 16 Cb 0.00 -2.45 0.02 0.00 0.10 0.00 0.00 34.13 31.80 1sjg s GLU 16 CO 0.00 0.53 0.33 0.00 0.02 0.00 0.00 175.26 176.14 1sjg s MET 17 N -2.27 0.76 -0.01 1.61 0.23 -1.26 -0.39 119.30 117.97 1sjg s MET 17 Ca 0.24 -0.31 -0.25 0.00 -1.03 0.00 0.00 55.69 54.34 1sjg s MET 17 Cb -0.11 0.33 0.06 0.00 -1.53 0.00 0.00 34.83 33.58 1sjg s MET 17 CO 0.17 -0.23 0.57 -2.00 -2.03 0.00 0.00 175.02 171.50 1sjg s GLU 18 N -1.87 1.00 -0.24 3.16 2.56 -0.15 -4.58 118.70 118.57 1sjg s GLU 18 Ca -0.10 0.00 -0.20 0.00 0.00 0.00 0.00 54.97 54.67 1sjg s GLU 18 Cb -0.03 0.46 -0.02 0.00 2.00 0.00 0.00 34.13 36.54 1sjg s GLU 18 CO 0.01 -0.33 0.63 0.99 -0.56 0.00 0.00 175.26 176.00 1sjg s THR 19 N -1.71 4.99 0.21 -1.70 2.01 -1.26 -0.86 115.64 117.33 1sjg s THR 19 Ca -0.09 1.15 0.11 0.00 0.31 0.00 0.00 61.69 63.17 1sjg s THR 19 Cb -0.01 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 1sjg s THR 19 CO 0.04 0.05 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.46 1sjg s PHE 20 N 2.33 2.35 -0.01 4.92 0.08 -0.46 -4.93 117.98 122.26 1sjg s PHE 20 Ca 0.27 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 57.01 1sjg s PHE 20 Cb -0.16 -1.12 -0.03 0.00 -0.57 0.00 0.00 43.02 41.14 1sjg s PHE 20 CO 0.09 0.56 -0.05 -2.00 -0.10 0.00 0.00 175.22 173.72 1sjg s GLU 21 N -2.91 2.66 0.67 0.44 2.12 -1.26 -1.48 118.70 118.94 1sjg s GLU 21 Ca 0.24 -0.65 -0.09 0.00 0.36 0.00 0.00 54.97 54.83 1sjg s GLU 21 Cb -0.07 -2.57 0.02 0.00 0.26 0.00 0.00 34.13 31.77 1sjg s GLU 21 CO 0.12 0.62 1.02 0.95 -0.54 0.00 0.00 175.26 177.43 1sjg s THR 22 N -0.98 3.27 -0.60 -1.70 -4.23 0.55 -4.89 115.64 107.05 1sjg s THR 22 Ca 0.17 0.16 0.19 0.00 -1.18 0.00 0.00 61.69 61.03 1sjg s THR 22 Cb -0.11 -3.37 0.19 0.00 1.34 0.00 0.00 72.50 70.55 1sjg s THR 22 CO 0.07 -0.43 1.57 -1.20 -0.54 0.00 0.00 174.62 174.09 1sjg n SER 23 N -2.86 0.43 0.05 3.99 7.64 -1.26 -0.92 113.62 120.68 1sjg n SER 23 Ca 0.06 0.63 0.12 0.00 1.01 0.00 0.00 58.87 60.70 1sjg n SER 23 Cb 0.58 -0.71 0.30 0.00 -1.01 0.00 0.00 64.21 63.37 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 -2.00 0.58 0.00 6.43 2.03 -1.26 -4.93 116.55 117.40 1sjg n ASP 24 Ca 0.02 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1sjg n ASP 24 Cb 0.15 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 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 1.39 1.14 3.73 0.27 0.00 -0.10 -5.09 105.19 106.53 1sjg n GLY 25 Ca 0.05 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 5.35 -0.15 2.61 2.01 -1.25 -4.83 115.64 117.38 1sjg s THR 26 Ca 0.00 0.40 -0.20 0.00 0.31 0.00 0.00 61.69 62.20 1sjg s THR 26 Cb 0.00 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 1sjg s THR 26 CO 0.00 0.41 0.59 -1.83 -0.69 0.00 0.00 174.62 173.10 1sjg s GLU 27 N 0.43 4.30 0.04 4.92 1.03 -1.26 -0.33 118.70 127.82 1sjg s GLU 27 Ca 0.13 0.60 0.02 0.00 0.03 0.00 0.00 54.97 55.76 1sjg s GLU 27 Cb -0.12 -3.51 -0.02 0.00 -0.80 0.00 0.00 34.13 29.68 1sjg s GLU 27 CO 0.01 -0.05 -0.07 0.08 -1.33 0.00 0.00 175.26 173.90 1sjg s VAL 28 N 1.27 0.50 -0.39 1.83 1.01 -0.55 -1.42 120.40 122.65 1sjg s VAL 28 Ca 0.29 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 1sjg s VAL 28 Cb -0.16 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.67 1sjg s VAL 28 CO 0.12 -0.33 0.28 -0.22 0.00 0.00 0.00 175.10 174.95 1sjg s LEU 29 N -1.40 4.97 -0.30 3.92 2.96 0.69 -1.35 118.68 128.17 1sjg s LEU 29 Ca -0.09 -0.81 -0.10 0.00 -0.22 0.00 0.00 54.13 52.91 1sjg s LEU 29 Cb -0.09 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 1sjg s LEU 29 CO 0.00 -0.40 0.16 -0.63 -1.32 0.00 0.00 176.35 174.16 1sjg s ILE 30 N 1.68 4.83 -0.14 6.68 1.09 -0.04 -2.44 121.20 132.86 1sjg s ILE 30 Ca 0.05 -0.20 0.01 0.00 -1.10 0.00 0.00 60.65 59.41 1sjg s ILE 30 Cb -0.19 -3.39 0.00 0.00 -1.06 0.00 0.00 42.46 37.83 1sjg s ILE 30 CO 0.10 0.15 -0.19 -0.69 -0.10 0.00 0.00 174.94 174.21 1sjg s VAL 31 N 1.67 2.38 -0.57 2.92 1.01 -0.45 -0.98 120.40 126.38 1sjg s VAL 31 Ca 0.06 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 60.94 1sjg s VAL 31 Cb -0.16 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.29 1sjg s VAL 31 CO 0.08 0.53 0.90 0.21 0.00 0.00 0.00 175.10 176.81 1sjg s ASN 32 N 0.78 6.28 -0.01 3.32 3.84 0.48 -0.66 114.94 128.96 1sjg s ASN 32 Ca -0.07 -0.61 -0.02 0.00 0.21 0.00 0.00 52.86 52.37 1sjg s ASN 32 Cb -0.16 -2.41 -0.04 0.00 -0.55 0.00 0.00 41.25 38.10 1sjg s ASN 32 CO -0.00 -1.23 0.14 -0.44 -2.79 0.00 0.00 177.10 172.79 1sjg s SER 33 N 3.04 6.12 -0.07 -4.21 0.01 -0.06 -0.58 113.70 117.94 1sjg s SER 33 Ca 0.26 0.28 -0.26 0.00 1.31 0.00 0.00 55.95 57.53 1sjg s SER 33 Cb -0.15 -1.87 -0.24 0.00 0.21 0.00 0.00 66.02 63.98 1sjg s SER 33 CO 0.16 0.27 1.00 -0.08 0.41 0.00 0.00 173.24 174.99 1sjg h GLU 34 N 3.94 0.07 -0.09 12.44 4.81 -1.95 -1.96 114.58 131.85 1sjg h GLU 34 Ca -0.49 -0.08 -0.21 0.00 -0.13 0.00 0.00 59.36 58.45 1sjg h GLU 34 Cb 1.19 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.60 1sjg h GLU 34 CO 0.66 0.85 -0.76 0.93 -0.73 0.00 0.00 179.01 179.96 1sjg h GLU 35 N -0.67 0.67 -0.20 1.92 5.08 -2.00 -3.28 114.58 116.10 1sjg h GLU 35 Ca -0.01 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1sjg h GLU 35 Cb 0.88 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1sjg h GLU 35 CO 0.02 1.21 0.00 0.72 -1.00 0.00 0.00 179.01 179.96 1sjg n HIS 36 N -4.02 0.24 -4.21 4.33 8.25 -1.26 -5.07 115.22 113.48 1sjg n HIS 36 Ca -0.09 -0.12 0.01 0.00 -0.26 0.00 0.00 57.72 57.25 1sjg n HIS 36 Cb 0.74 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.84 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 1.37 -1.60 3.66 -1.41 0.00 -0.73 -4.60 105.19 101.88 1sjg n GLY 37 Ca 0.16 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 1sjg n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sjg s VAL 38 N -0.11 4.55 0.04 1.61 1.01 -1.26 -0.88 120.40 125.36 1sjg s VAL 38 Ca 0.00 1.87 0.08 0.00 0.00 0.00 0.00 61.98 63.92 1sjg s VAL 38 Cb 0.00 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1sjg s VAL 38 CO 0.00 -0.17 -0.20 -0.54 0.00 0.00 0.00 175.10 174.19 1sjg s LYS 39 N 3.30 2.01 -0.15 2.72 -0.14 0.17 -4.57 119.74 123.09 1sjg s LYS 39 Ca 0.48 -1.01 0.00 0.00 -1.36 0.00 0.00 55.97 54.08 1sjg s LYS 39 Cb -0.17 -2.14 0.02 0.00 -1.68 0.00 0.00 37.83 33.86 1sjg s LYS 39 CO 0.09 0.54 -0.15 0.00 -0.76 0.00 0.00 175.35 175.07 1sjg s ALA 40 N -0.89 1.91 -0.04 5.17 0.00 -1.25 -1.34 121.76 125.32 1sjg s ALA 40 Ca 0.14 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 1sjg s ALA 40 Cb -0.10 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 21.96 1sjg s ALA 40 CO 0.04 -0.38 0.12 1.52 0.00 0.00 0.00 175.76 177.06 1sjg s TYR 41 N 1.46 -0.12 0.21 0.00 -0.85 -1.02 -1.15 117.35 115.88 1sjg s TYR 41 Ca 0.05 0.30 -0.30 0.00 -0.52 0.00 0.00 57.07 56.60 1sjg s TYR 41 Cb -0.13 0.04 -0.16 0.00 0.38 0.00 0.00 41.96 42.09 1sjg s TYR 41 CO -0.11 -0.07 0.83 1.04 -1.52 0.00 0.00 175.55 175.73 1sjg n GLN 42 N 2.99 0.64 -1.43 -3.49 1.13 -1.25 -0.22 117.38 115.74 1sjg n GLN 42 Ca -0.13 0.22 -0.37 0.00 -1.94 0.00 0.00 57.00 54.79 1sjg n GLN 42 Cb 0.59 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.44 1sjg n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sjg n ALA 43 N 0.46 7.34 -1.86 -1.58 0.00 -0.51 -4.53 120.51 119.82 1sjg n ALA 43 Ca 0.15 -3.53 -0.28 0.00 0.00 0.00 0.00 53.44 49.78 1sjg n ALA 43 Cb 0.26 -3.17 -0.05 0.00 0.00 0.00 0.00 19.45 16.49 1sjg n ALA 43 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1sjg s MET 44 N 1.36 2.28 -0.34 0.00 -1.94 -1.26 -4.79 119.30 114.60 1sjg s MET 44 Ca 0.66 0.38 -0.00 0.00 -1.71 0.00 0.00 55.69 55.03 1sjg s MET 44 Cb 0.19 -4.75 0.19 0.00 2.01 0.00 0.00 34.83 32.47 1sjg s MET 44 CO -0.07 -3.45 0.80 0.00 -0.01 0.00 0.00 175.02 172.29 1sjg n PRO 46 N 4.57 1.44 -1.28 0.00 -0.05 -1.26 -3.71 135.00 134.71 1sjg n PRO 46 Ca 0.08 -1.05 0.04 0.00 -0.05 0.00 0.00 63.50 62.52 1sjg n PRO 46 Cb 0.58 -1.41 0.08 0.00 -0.05 0.00 0.00 33.50 32.69 1sjg n PRO 46 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 175.50 173.06 1sjg n HIS 47 N -0.06 0.07 -1.66 0.54 1.44 -1.26 -5.10 115.22 109.18 1sjg n HIS 47 Ca 0.21 -0.85 -0.56 0.00 -2.01 0.00 0.00 57.72 54.51 1sjg n HIS 47 Cb 0.90 -0.18 -0.07 0.00 0.12 0.00 0.00 29.99 30.76 1sjg n HIS 47 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 1sjg n GLN 48 N -0.02 1.13 -0.06 -1.40 0.00 -1.24 -4.94 117.38 110.85 1sjg n GLN 48 Ca 0.10 0.41 -0.04 0.00 -0.00 0.00 0.00 57.00 57.47 1sjg n GLN 48 Cb 1.00 -2.08 -0.01 0.00 0.00 0.00 0.00 30.24 29.16 1sjg n GLN 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1sjg n GLU 49 N 4.23 0.36 -4.01 3.69 -0.58 -1.26 -5.08 120.64 117.99 1sjg n GLU 49 Ca 0.23 0.39 -0.10 0.00 -0.42 0.00 0.00 57.16 57.26 1sjg n GLU 49 Cb 0.15 -1.40 -0.05 0.00 -0.57 0.00 0.00 31.44 29.57 1sjg n GLU 49 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1sjg s ILE 50 N -2.06 0.00 -0.27 -3.67 1.10 -1.26 -5.09 121.20 109.95 1sjg s ILE 50 Ca -0.14 -1.44 -0.28 0.00 -0.51 0.00 0.00 60.65 58.28 1sjg s ILE 50 Cb 0.02 -2.38 -0.03 0.00 0.15 0.00 0.00 42.46 40.22 1sjg s ILE 50 CO 0.20 0.00 1.92 -0.76 -2.11 0.00 0.00 174.94 174.20 1sjg s LEU 51 N -3.08 3.54 0.65 8.50 2.01 -1.26 -4.82 118.68 124.22 1sjg s LEU 51 Ca 0.24 1.57 0.43 0.00 0.01 0.00 0.00 54.13 56.38 1sjg s LEU 51 Cb -0.01 -3.52 2.22 0.00 0.01 0.00 0.00 46.19 44.89 1sjg s LEU 51 CO 0.12 -1.73 2.30 0.17 1.01 0.00 0.00 176.35 178.22 1sjg h LEU 52 N 13.85 0.00 -2.20 1.79 -0.00 -1.94 -3.35 115.31 123.47 1sjg h LEU 52 Ca -0.37 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.54 1sjg h LEU 52 Cb 1.19 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1sjg h LEU 52 CO 1.00 0.00 0.27 0.77 -0.00 0.00 0.00 178.44 180.48 1sjg h SER 53 N 0.00 0.00 -0.57 0.17 4.64 -1.92 0.31 113.55 116.18 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 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1sjg h SER 53 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1sjg n GLU 54 N -3.21 2.46 -2.79 4.77 1.02 -1.26 -4.22 120.64 117.42 1sjg n GLU 54 Ca -0.00 -2.25 -0.03 0.00 -0.02 0.00 0.00 57.16 54.85 1sjg n GLU 54 Cb 0.35 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.29 1sjg n GLU 54 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1sjg s GLY 55 N -1.14 -1.40 0.00 0.62 0.00 0.11 -5.07 107.32 100.44 1sjg s GLY 55 Ca 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.03 1sjg s GLY 55 CO 0.30 3.81 0.00 1.44 0.00 0.00 0.00 173.10 178.65 1sjg n SER 56 N 3.04 0.00 -4.57 1.64 7.64 -1.21 -4.43 113.62 115.73 1sjg n SER 56 Ca 0.16 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.62 1sjg n SER 56 Cb 0.58 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.21 3.14 -0.32 1.43 6.14 -1.26 0.45 117.35 126.72 1sjg s TYR 57 Ca 0.00 0.36 0.01 0.00 0.64 0.00 0.00 57.07 58.08 1sjg s TYR 57 Cb 0.00 -3.21 0.08 0.00 0.42 0.00 0.00 41.96 39.25 1sjg s TYR 57 CO 0.00 -0.67 0.02 -1.21 0.64 0.00 0.00 175.55 174.33 1sjg s GLU 58 N 2.80 2.02 0.00 4.97 2.02 0.88 -4.89 118.70 126.50 1sjg s GLU 58 Ca 0.26 -1.57 0.00 0.00 0.02 0.00 0.00 54.97 53.68 1sjg s GLU 58 Cb -0.14 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.90 1sjg s GLU 58 CO 0.16 -0.78 0.00 0.41 0.02 0.00 0.00 175.26 175.06 1sjg n GLY 59 N 4.46 1.09 0.00 -1.39 0.00 -1.26 -1.70 105.19 106.39 1sjg n GLY 59 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.99 3.72 -0.02 0.00 -1.26 -5.07 105.19 103.55 1sjg n GLY 60 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 4.49 -0.20 1.61 1.01 -0.69 -0.34 120.40 126.28 1sjg s VAL 61 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1sjg s VAL 61 Cb 0.00 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.46 1sjg s VAL 61 CO 0.00 0.58 -0.08 -0.63 0.00 0.00 0.00 175.10 174.98 1sjg s ILE 62 N -0.93 3.14 0.16 2.22 1.01 0.40 -0.08 121.20 127.11 1sjg s ILE 62 Ca 0.14 -0.58 -0.09 0.00 0.00 0.00 0.00 60.65 60.13 1sjg s ILE 62 Cb -0.11 -2.40 -0.06 0.00 0.01 0.00 0.00 42.46 39.89 1sjg s ILE 62 CO 0.04 0.45 0.46 -0.89 0.00 0.00 0.00 174.94 175.00 1sjg s THR 63 N 1.33 5.03 -0.15 2.92 2.01 0.17 -1.95 115.64 125.00 1sjg s THR 63 Ca 0.04 0.37 0.10 0.00 0.31 0.00 0.00 61.69 62.50 1sjg s THR 63 Cb -0.14 -3.64 0.24 0.00 0.01 0.00 0.00 72.50 68.98 1sjg s THR 63 CO -0.04 0.07 1.24 0.00 -0.69 0.00 0.00 174.62 175.20 1sjg n ARG 65 N -0.60 0.00 -1.95 0.00 0.63 -1.26 -4.51 116.66 108.97 1sjg n ARG 65 Ca -0.18 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.73 1sjg n ARG 65 Cb 0.82 -1.61 -0.02 0.00 0.45 0.00 0.00 32.46 32.10 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 0.27 -3.27 1.01 5.13 0.00 -1.26 -4.95 120.51 117.44 1sjg n ALA 66 Ca 0.00 1.04 0.12 0.00 0.00 0.00 0.00 53.44 54.60 1sjg n ALA 66 Cb 0.00 -2.04 0.10 0.00 0.00 0.00 0.00 19.45 17.51 1sjg n ALA 66 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sjg n HIS 67 N 0.77 0.00 0.10 0.00 -0.00 -1.26 -4.66 115.22 110.16 1sjg n HIS 67 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 1sjg n HIS 67 Cb 0.27 -0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.26 1sjg n HIS 67 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1sjg n LEU 68 N 1.28 -0.93 0.00 2.41 4.77 -1.26 -5.16 117.00 118.11 1sjg n LEU 68 Ca 0.14 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1sjg n LEU 68 Cb 0.59 1.03 0.00 0.00 -2.33 0.00 0.00 43.42 42.71 1sjg n LEU 68 CO 0.16 -0.43 0.00 1.87 -1.33 0.00 0.00 177.39 177.65 1sjg n TRP 69 N -3.01 0.00 -4.29 -1.77 -0.00 -1.26 -5.01 117.44 102.10 1sjg n TRP 69 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.35 1sjg n TRP 69 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.21 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 -0.05 0.63 -0.11 5.87 -4.23 -1.26 -4.27 115.64 112.21 1sjg s THR 70 Ca 0.00 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 58.43 1sjg s THR 70 Cb 0.00 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 1sjg s THR 70 CO 0.00 -0.19 0.19 -0.36 -0.54 0.00 0.00 174.62 173.72 1sjg s PHE 71 N -3.70 3.59 -0.33 3.99 0.40 -0.82 -1.95 117.98 119.17 1sjg s PHE 71 Ca 0.32 0.59 -0.08 0.00 -0.60 0.00 0.00 56.93 57.16 1sjg s PHE 71 Cb 0.07 -2.04 0.02 0.00 0.51 0.00 0.00 43.02 41.58 1sjg s PHE 71 CO 0.10 0.65 0.12 1.21 0.70 0.00 0.00 175.22 178.00 1sjg s ASN 72 N -0.81 5.35 -1.00 1.36 3.84 -1.26 -0.46 114.94 121.97 1sjg s ASN 72 Ca 0.16 -0.87 -0.11 0.00 0.21 0.00 0.00 52.86 52.24 1sjg s ASN 72 Cb -0.13 -1.92 -0.02 0.00 -0.55 0.00 0.00 41.25 38.64 1sjg s ASN 72 CO 0.05 -0.27 0.78 -0.90 -2.79 0.00 0.00 177.10 173.97 1sjg n ASP 73 N 4.89 -6.04 -3.41 -4.21 5.75 0.54 -4.39 116.55 109.68 1sjg n ASP 73 Ca -0.13 -0.76 -0.34 0.00 -0.01 0.00 0.00 54.79 53.55 1sjg n ASP 73 Cb 0.47 -3.93 -0.03 0.00 -1.03 0.00 0.00 41.12 36.60 1sjg n ASP 73 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sjg n GLY 74 N -1.61 3.26 1.32 6.12 0.00 -1.21 -1.09 105.19 111.98 1sjg n GLY 74 Ca -0.10 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1sjg n GLY 74 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sjg n THR 75 N 4.81 0.00 -0.23 2.61 -1.04 -1.26 -4.88 114.28 114.30 1sjg n THR 75 Ca 0.51 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.52 1sjg n THR 75 Cb 0.26 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 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 1.51 -0.05 3.05 3.41 0.00 -0.60 -3.79 105.19 108.71 1sjg n GLY 76 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1sjg n GLY 76 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sjg s HIS 77 N -0.23 -0.09 -0.06 1.61 4.02 -0.25 -4.34 115.29 115.94 1sjg s HIS 77 Ca 0.00 0.22 0.01 0.00 1.02 0.00 0.00 55.06 56.32 1sjg s HIS 77 Cb 0.00 0.02 0.02 0.00 -1.02 0.00 0.00 32.58 31.60 1sjg s HIS 77 CO 0.00 -0.14 -0.08 0.20 1.02 0.00 0.00 174.74 175.74 1sjg s GLY 78 N -0.36 0.63 0.17 -2.22 0.00 -1.09 -3.32 107.32 101.13 1sjg s GLY 78 Ca -0.04 -0.25 0.19 0.00 0.00 0.00 0.00 44.72 44.62 1sjg s GLY 78 CO 0.01 0.32 1.04 -2.22 0.00 0.00 0.00 173.10 172.24 1sjg h ILE 79 N 6.06 0.29 -2.80 0.90 2.04 -1.81 -3.29 117.51 118.91 1sjg h ILE 79 Ca -0.34 -1.54 -0.33 0.00 1.00 0.00 0.00 64.86 63.65 1sjg h ILE 79 Cb 1.17 1.85 -0.37 0.00 -0.74 0.00 0.00 36.82 38.73 1sjg h ILE 79 CO 0.46 0.17 -0.65 0.21 0.00 0.00 0.00 178.15 178.35 1sjg s ASN 80 N -5.71 1.31 0.02 1.72 2.47 -0.82 -2.09 114.94 111.84 1sjg s ASN 80 Ca -0.00 -0.09 -0.30 0.00 0.42 0.00 0.00 52.86 52.88 1sjg s ASN 80 Cb 0.09 0.26 -0.04 0.00 -1.45 0.00 0.00 41.25 40.10 1sjg s ASN 80 CO 0.79 -0.30 1.13 -2.84 -3.72 0.00 0.00 177.10 172.16 1sjg s PRO 81 N 2.29 4.45 0.11 0.43 0.02 -1.26 -4.07 135.00 136.97 1sjg s PRO 81 Ca 0.05 1.65 0.16 0.00 0.02 0.00 0.00 61.00 62.88 1sjg s PRO 81 Cb -0.14 -3.41 0.71 0.00 0.02 0.00 0.00 34.50 31.67 1sjg s PRO 81 CO -0.09 -0.23 1.51 -0.40 -0.33 0.00 0.00 177.00 177.45 1sjg n ASP 82 N 4.14 0.26 0.26 2.53 5.68 -0.89 -1.72 116.55 126.80 1sjg n ASP 82 Ca 0.08 0.57 0.16 0.00 -0.50 0.00 0.00 54.79 55.10 1sjg n ASP 82 Cb 0.48 -0.62 0.55 0.00 -1.14 0.00 0.00 41.12 40.38 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 -5.07 -1.12 3.58 -1.87 -3.47 116.42 108.47 1sjg h ASP 83 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1sjg h ASP 83 Cb 0.24 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 41.17 1sjg h ASP 83 CO 0.00 0.00 -0.00 0.00 -2.88 0.00 0.00 179.24 176.36 1sjg s LEU 86 N 0.00 2.42 -1.11 0.00 1.43 -1.25 -4.81 118.68 115.36 1sjg s LEU 86 Ca 0.00 -0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 52.47 1sjg s LEU 86 Cb 0.00 -1.44 0.05 0.00 0.03 0.00 0.00 46.19 44.83 1sjg s LEU 86 CO 0.00 0.29 1.58 0.00 0.23 0.00 0.00 176.35 178.45 1sjg s ALA 87 N -0.79 2.84 -0.07 4.21 0.00 -1.26 -4.47 121.76 122.21 1sjg s ALA 87 Ca 0.12 -2.44 -0.30 0.00 0.00 0.00 0.00 51.96 49.34 1sjg s ALA 87 Cb -0.10 -4.58 -0.03 0.00 0.00 0.00 0.00 23.12 18.41 1sjg s ALA 87 CO 0.02 -3.62 1.28 -1.83 0.00 0.00 0.00 175.76 171.62 1sjg s GLU 88 N 4.87 4.30 0.24 0.00 1.03 -1.25 -3.75 118.70 124.13 1sjg s GLU 88 Ca 0.50 1.76 0.09 0.00 0.03 0.00 0.00 54.97 57.35 1sjg s GLU 88 Cb 0.01 -3.64 -0.05 0.00 -0.80 0.00 0.00 34.13 29.66 1sjg s GLU 88 CO -0.03 -0.56 -0.16 1.52 -1.33 0.00 0.00 175.26 174.70 1sjg s TYR 89 N 2.68 1.94 0.25 4.83 -0.85 -0.30 -5.01 117.35 120.89 1sjg s TYR 89 Ca 0.58 -0.49 -0.30 0.00 -0.52 0.00 0.00 57.07 56.33 1sjg s TYR 89 Cb -0.26 -0.89 -0.11 0.00 0.38 0.00 0.00 41.96 41.09 1sjg s TYR 89 CO 0.21 0.49 1.56 -2.14 -1.52 0.00 0.00 175.55 174.15 1sjg s PRO 90 N -3.60 4.18 0.02 -3.49 0.02 -1.26 -3.94 135.00 126.92 1sjg s PRO 90 Ca 0.26 2.46 0.07 0.00 0.02 0.00 0.00 61.00 63.80 1sjg s PRO 90 Cb -0.02 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.39 1sjg s PRO 90 CO 0.10 -0.58 -0.18 0.08 -0.33 0.00 0.00 177.00 176.09 1sjg s VAL 91 N 0.32 2.74 -0.05 3.83 1.01 -1.26 -1.13 120.40 125.86 1sjg s VAL 91 Ca 0.64 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1sjg s VAL 91 Cb -0.46 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1sjg s VAL 91 CO 0.42 0.41 -0.13 -0.70 0.00 0.00 0.00 175.10 175.11 1sjg s GLU 92 N -1.21 1.55 -0.19 2.72 2.12 0.11 -4.98 118.70 118.83 1sjg s GLU 92 Ca 0.13 -0.43 -0.10 0.00 0.36 0.00 0.00 54.97 54.93 1sjg s GLU 92 Cb -0.10 -1.33 -0.05 0.00 0.26 0.00 0.00 34.13 32.91 1sjg s GLU 92 CO 0.04 0.09 0.15 0.54 -0.54 0.00 0.00 175.26 175.54 1sjg s VAL 93 N 0.43 5.40 -0.47 3.70 0.11 -1.26 -0.11 120.40 128.20 1sjg s VAL 93 Ca -0.10 0.24 0.03 0.00 -2.93 0.00 0.00 61.98 59.22 1sjg s VAL 93 Cb -0.13 -3.49 0.13 0.00 -1.53 0.00 0.00 36.38 31.36 1sjg s VAL 93 CO 0.03 0.44 0.24 -0.54 -3.33 0.00 0.00 175.10 171.94 1sjg s LYS 94 N 0.31 1.59 6.71 1.54 3.01 0.74 -4.98 119.74 128.66 1sjg s LYS 94 Ca 0.09 -2.25 0.00 0.00 -1.01 0.00 0.00 55.97 52.80 1sjg s LYS 94 Cb -0.11 -2.80 0.00 0.00 -1.01 0.00 0.00 37.83 33.91 1sjg s LYS 94 CO -0.01 -1.12 0.00 0.41 0.51 0.00 0.00 175.35 175.14 1sjg n GLY 95 N 3.41 2.34 0.10 -3.33 0.00 -1.26 -0.77 105.19 105.68 1sjg n GLY 95 Ca 0.06 0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.44 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 10.77 0.81 -4.66 1.61 8.00 -1.26 -4.74 116.55 127.07 1sjg n ASP 96 Ca 0.00 -0.61 -0.24 0.00 0.71 0.00 0.00 54.79 54.64 1sjg n ASP 96 Cb 0.00 0.32 -0.07 0.00 -0.02 0.00 0.00 41.12 41.35 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 -2.82 4.70 -0.04 -2.24 1.01 0.05 0.36 116.67 117.68 1sjg s ASP 97 Ca 0.15 -0.51 0.04 0.00 0.71 0.00 0.00 52.55 52.94 1sjg s ASP 97 Cb 0.18 -0.95 -0.00 0.00 1.01 0.00 0.00 42.92 43.16 1sjg s ASP 97 CO 0.66 0.04 -0.16 -0.63 0.21 0.00 0.00 175.17 175.29 1sjg s ILE 98 N -2.04 1.33 0.01 0.77 -1.09 0.38 -0.19 121.20 120.38 1sjg s ILE 98 Ca 0.30 -0.67 0.01 0.00 -2.23 0.00 0.00 60.65 58.06 1sjg s ILE 98 Cb -0.08 -1.15 -0.04 0.00 -1.58 0.00 0.00 42.46 39.62 1sjg s ILE 98 CO 0.19 0.39 0.04 -0.31 -1.23 0.00 0.00 174.94 174.02 1sjg s TYR 99 N 0.01 3.15 0.05 3.97 2.02 0.85 -3.14 117.35 124.25 1sjg s TYR 99 Ca -0.02 0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.81 1sjg s TYR 99 Cb -0.10 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 1sjg s TYR 99 CO 0.02 0.50 -0.08 0.08 -1.57 0.00 0.00 175.55 174.49 1sjg s VAL 100 N -1.17 0.63 -0.39 0.71 1.01 -0.40 0.09 120.40 120.87 1sjg s VAL 100 Ca 0.22 -1.19 -0.23 0.00 0.00 0.00 0.00 61.98 60.78 1sjg s VAL 100 Cb -0.12 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.51 1sjg s VAL 100 CO 0.13 -0.41 0.79 -0.44 0.00 0.00 0.00 175.10 175.18 1sjg s SER 101 N -1.75 6.52 0.00 3.32 0.01 -0.29 -0.18 113.70 121.33 1sjg s SER 101 Ca -0.07 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1sjg s SER 101 Cb -0.09 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1sjg s SER 101 CO 0.00 -0.80 0.00 0.35 0.41 0.00 0.00 173.24 173.20 1sjg n THR 102 N 5.92 0.00 -3.56 1.44 -2.24 0.16 -4.64 114.28 111.35 1sjg n THR 102 Ca 0.03 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 1sjg n THR 102 Cb 0.48 -0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 68.19 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 -1.77 2.95 0.00 -0.78 2.47 -1.12 -4.09 119.74 117.39 1sjg s LYS 103 Ca 0.00 -2.44 0.00 0.00 -1.56 0.00 0.00 55.97 51.97 1sjg s LYS 103 Cb 0.00 -4.01 0.00 0.00 -1.46 0.00 0.00 37.83 32.36 1sjg s LYS 103 CO 0.00 -1.22 0.00 0.41 0.16 0.00 0.00 175.35 174.70 1sjg n GLY 104 N 3.79 2.83 3.81 5.54 0.00 -1.26 -0.38 105.19 119.51 1sjg n GLY 104 Ca 0.09 -0.35 -0.37 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 0.00 4.53 -0.56 -0.61 -1.09 -1.26 -5.01 121.20 117.20 1sjg s ILE 105 Ca 0.00 1.38 -0.18 0.00 -2.23 0.00 0.00 60.65 59.62 1sjg s ILE 105 Cb 0.00 -3.92 0.11 0.00 -1.58 0.00 0.00 42.46 37.06 1sjg s ILE 105 CO 0.00 0.30 0.61 -0.22 -1.23 0.00 0.00 174.94 174.39 1sjg s LEU 106 N -1.74 5.65 0.18 2.97 2.96 -1.26 -4.82 118.68 122.62 1sjg s LEU 106 Ca 0.41 -1.51 -0.30 0.00 -0.22 0.00 0.00 54.13 52.50 1sjg s LEU 106 Cb -0.18 -2.27 -0.08 0.00 0.50 0.00 0.00 46.19 44.16 1sjg s LEU 106 CO 0.22 -0.98 1.00 -2.84 -1.32 0.00 0.00 176.35 172.43 1sjg s PRO 107 N 2.24 4.72 -0.31 0.98 0.02 -1.26 -5.00 135.00 136.39 1sjg s PRO 107 Ca 0.08 1.56 -0.29 0.00 0.02 0.00 0.00 61.00 62.38 1sjg s PRO 107 Cb -0.26 -3.31 0.01 0.00 0.02 0.00 0.00 34.50 30.97 1sjg s PRO 107 CO 0.06 0.27 1.05 0.54 -0.33 0.00 0.00 177.00 178.58 1sjg s ASN 108 N -0.46 6.94 0.43 2.53 2.20 -1.26 -4.87 114.94 120.45 1sjg s ASN 108 Ca 0.46 1.07 0.23 0.00 -0.94 0.00 0.00 52.86 53.68 1sjg s ASN 108 Cb -0.26 -2.53 0.87 0.00 -2.00 0.00 0.00 41.25 37.32 1sjg s ASN 108 CO 0.33 -0.83 1.81 0.50 -2.94 0.00 0.00 177.10 175.96 1sjg h LYS 109 N 8.00 0.00 -0.29 3.55 3.64 -1.95 -3.42 116.57 126.10 1sjg h LYS 109 Ca -0.21 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.39 1sjg h LYS 109 Cb 1.06 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.69 1sjg h LYS 109 CO 1.01 0.24 0.03 0.00 -2.27 0.00 0.00 179.45 178.46 1sjg s ALA 110 N -3.63 -3.82 0.00 5.00 0.00 -1.26 -4.95 121.76 113.10 1sjg s ALA 110 Ca 0.01 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1sjg s ALA 110 Cb 0.10 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1sjg s ALA 110 CO 0.64 -1.89 0.00 1.58 0.00 0.00 0.00 175.76 176.10 1sjg n HIS 111 N 5.24 0.00 -1.59 0.00 -0.00 -1.26 -5.20 115.22 112.40 1sjg n HIS 111 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 1sjg n HIS 111 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.55 1sjg n HIS 111 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77