#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjg s SER 2 N 0.00 6.67 -0.31 6.12 0.15 -1.26 -4.72 113.70 120.34 1sjg s SER 2 Ca 0.00 -1.94 0.05 0.00 0.70 0.00 0.00 55.95 54.76 1sjg s SER 2 Cb 0.00 -2.57 0.18 0.00 -1.71 0.00 0.00 66.02 61.92 1sjg s SER 2 CO 0.00 -1.34 0.53 -0.36 1.20 0.00 0.00 173.24 173.27 1sjg s PHE 3 N 4.60 -1.50 -0.13 3.44 0.08 -1.25 -4.03 117.98 119.20 1sjg s PHE 3 Ca 0.50 0.61 -0.03 0.00 0.12 0.00 0.00 56.93 58.13 1sjg s PHE 3 Cb 0.02 0.13 -0.03 0.00 -0.57 0.00 0.00 43.02 42.57 1sjg s PHE 3 CO -0.01 -1.07 -0.02 -2.00 -0.10 0.00 0.00 175.22 172.02 1sjg s GLU 4 N 2.50 3.45 0.09 0.44 2.12 0.03 -4.75 118.70 122.59 1sjg s GLU 4 Ca 0.11 -0.47 -0.31 0.00 0.36 0.00 0.00 54.97 54.67 1sjg s GLU 4 Cb -0.10 -2.90 -0.08 0.00 0.26 0.00 0.00 34.13 31.31 1sjg s GLU 4 CO -0.23 0.41 1.54 0.21 -0.54 0.00 0.00 175.26 176.65 1sjg s LYS 5 N -0.07 4.24 -0.15 4.30 2.20 -1.26 -0.38 119.74 128.61 1sjg s LYS 5 Ca 0.03 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 1sjg s LYS 5 Cb -0.13 -3.40 -0.10 0.00 -1.51 0.00 0.00 37.83 32.69 1sjg s LYS 5 CO 0.02 -0.62 -0.14 1.51 -0.36 0.00 0.00 175.35 175.76 1sjg n ILE 6 N 4.36 0.88 -3.09 5.43 0.13 -0.23 -4.92 119.36 121.91 1sjg n ILE 6 Ca 0.14 -0.33 -0.01 0.00 -1.10 0.00 0.00 62.75 61.46 1sjg n ILE 6 Cb 0.41 -1.11 0.00 0.00 -0.84 0.00 0.00 39.64 38.10 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 -1.19 3.38 0.63 0.00 0.01 -1.26 -1.11 113.70 114.16 1sjg s SER 8 Ca 0.01 -0.83 0.39 0.00 1.31 0.00 0.00 55.95 56.83 1sjg s SER 8 Cb -0.00 -0.24 2.12 0.00 0.21 0.00 0.00 66.02 68.11 1sjg s SER 8 CO 0.01 0.13 2.29 0.25 0.41 0.00 0.00 173.24 176.33 1sjg h LEU 9 N 3.39 0.00 -1.95 2.44 6.46 -0.60 0.64 115.31 125.69 1sjg h LEU 9 Ca -0.48 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.28 1sjg h LEU 9 Cb 1.20 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.13 1sjg h LEU 9 CO 0.45 0.01 -0.04 -0.78 -0.62 0.00 0.00 178.44 177.46 1sjg h ASP 10 N 0.00 0.00 -0.11 1.25 3.58 -1.93 -2.06 116.42 117.15 1sjg h ASP 10 Ca -0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1sjg h ASP 10 Cb 0.09 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 1sjg h ASP 10 CO 0.00 0.04 -0.07 0.44 -2.88 0.00 0.00 179.24 176.77 1sjg h ASP 11 N 0.00 0.25 -3.55 2.28 5.19 -1.23 -3.43 116.42 115.94 1sjg h ASP 11 Ca -0.00 -0.44 -0.61 0.00 -0.62 0.00 0.00 57.03 55.35 1sjg h ASP 11 Cb 0.07 -0.07 -0.38 0.00 0.18 0.00 0.00 39.33 39.14 1sjg h ASP 11 CO 0.01 0.64 -0.80 0.27 -3.12 0.00 0.00 179.24 176.24 1sjg s ILE 12 N -4.44 1.60 0.84 0.35 -4.36 -0.77 -4.99 121.20 109.42 1sjg s ILE 12 Ca -0.15 -1.13 -0.12 0.00 -0.26 0.00 0.00 60.65 58.99 1sjg s ILE 12 Cb 0.04 -1.77 0.10 0.00 1.25 0.00 0.00 42.46 42.08 1sjg s ILE 12 CO 0.72 0.03 1.18 0.26 0.24 0.00 0.00 174.94 177.38 1sjg s TRP 13 N 1.39 2.78 -0.01 1.37 0.52 -1.24 -4.72 118.94 119.03 1sjg s TRP 13 Ca -0.04 0.74 -0.30 0.00 0.02 0.00 0.00 56.10 56.52 1sjg s TRP 13 Cb -0.18 -3.52 -0.08 0.00 -1.15 0.00 0.00 33.47 28.54 1sjg s TRP 13 CO -0.07 -1.94 1.95 0.14 0.02 0.00 0.00 176.95 177.05 1sjg s VAL 14 N -3.55 3.11 0.00 4.03 -7.23 -1.25 -0.45 120.40 115.06 1sjg s VAL 14 Ca 0.63 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.93 1sjg s VAL 14 Cb -0.11 -3.09 0.00 0.00 0.56 0.00 0.00 36.38 33.74 1sjg s VAL 14 CO 0.50 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.88 1sjg n GLY 15 N 4.63 0.79 3.84 2.32 0.00 0.23 -4.87 105.19 112.13 1sjg n GLY 15 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1sjg n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sjg s GLU 16 N -0.91 3.11 -0.14 1.61 2.56 0.41 -4.95 118.70 120.39 1sjg s GLU 16 Ca 0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 54.97 54.25 1sjg s GLU 16 Cb 0.00 -2.85 0.04 0.00 2.00 0.00 0.00 34.13 33.32 1sjg s GLU 16 CO 0.00 0.58 0.36 0.00 -0.56 0.00 0.00 175.26 175.64 1sjg s MET 17 N -2.50 0.41 0.04 4.30 0.23 -1.26 -0.81 119.30 119.71 1sjg s MET 17 Ca 0.32 0.55 -0.06 0.00 -1.03 0.00 0.00 55.69 55.47 1sjg s MET 17 Cb -0.12 0.15 -0.01 0.00 -1.53 0.00 0.00 34.83 33.32 1sjg s MET 17 CO 0.25 -0.07 0.11 -1.21 -2.03 0.00 0.00 175.02 172.06 1sjg s GLU 18 N 0.44 0.61 -0.20 3.16 2.02 -0.66 -4.71 118.70 119.36 1sjg s GLU 18 Ca -0.02 -0.75 -0.19 0.00 0.02 0.00 0.00 54.97 54.03 1sjg s GLU 18 Cb -0.04 0.24 -0.03 0.00 0.10 0.00 0.00 34.13 34.40 1sjg s GLU 18 CO -0.02 -0.16 0.53 0.99 0.02 0.00 0.00 175.26 176.62 1sjg s THR 19 N -2.67 5.09 0.19 3.63 2.01 -1.26 -0.05 115.64 122.59 1sjg s THR 19 Ca -0.04 0.98 0.11 0.00 0.31 0.00 0.00 61.69 63.05 1sjg s THR 19 Cb -0.01 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1sjg s THR 19 CO -0.05 0.17 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.45 1sjg s PHE 20 N 1.69 2.30 -0.07 4.92 0.08 0.66 -4.90 117.98 122.65 1sjg s PHE 20 Ca 0.24 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 56.96 1sjg s PHE 20 Cb -0.15 -1.14 -0.02 0.00 -0.57 0.00 0.00 43.02 41.13 1sjg s PHE 20 CO 0.10 0.50 -0.13 -2.00 -0.10 0.00 0.00 175.22 173.59 1sjg s GLU 21 N -2.69 2.77 0.81 0.44 2.12 -1.26 -0.19 118.70 120.71 1sjg s GLU 21 Ca 0.21 -0.67 -0.10 0.00 0.36 0.00 0.00 54.97 54.77 1sjg s GLU 21 Cb -0.08 -2.48 0.12 0.00 0.26 0.00 0.00 34.13 31.95 1sjg s GLU 21 CO 0.10 0.52 1.15 0.95 -0.54 0.00 0.00 175.26 177.44 1sjg s THR 22 N -0.46 2.10 -1.07 -1.70 -4.23 0.43 -4.89 115.64 105.82 1sjg s THR 22 Ca 0.06 -0.15 0.17 0.00 -1.18 0.00 0.00 61.69 60.59 1sjg s THR 22 Cb -0.12 -2.95 0.17 0.00 1.34 0.00 0.00 72.50 70.94 1sjg s THR 22 CO 0.02 0.00 1.55 -1.20 -0.54 0.00 0.00 174.62 174.45 1sjg n SER 23 N -3.28 0.00 -0.37 3.99 7.64 -1.26 -1.25 113.62 119.08 1sjg n SER 23 Ca 0.11 0.43 0.12 0.00 1.01 0.00 0.00 58.87 60.54 1sjg n SER 23 Cb 0.60 -0.47 0.21 0.00 -1.01 0.00 0.00 64.21 63.54 1sjg n SER 23 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1sjg n ASP 24 N -1.47 1.51 0.00 6.43 8.00 -1.26 -4.94 116.55 124.83 1sjg n ASP 24 Ca 0.05 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1sjg n ASP 24 Cb 0.19 0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 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 1.37 0.76 3.58 0.44 0.00 -0.38 -5.04 105.19 105.91 1sjg n GLY 25 Ca 0.11 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 4.85 -0.20 2.61 2.01 -1.26 -4.79 115.64 116.86 1sjg s THR 26 Ca 0.00 0.69 -0.19 0.00 0.31 0.00 0.00 61.69 62.50 1sjg s THR 26 Cb 0.00 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.37 1sjg s THR 26 CO 0.00 -0.33 0.52 -1.61 -0.69 0.00 0.00 174.62 172.51 1sjg s GLU 27 N 2.80 4.18 0.01 4.92 2.02 -1.26 -0.43 118.70 130.94 1sjg s GLU 27 Ca 0.26 0.42 0.02 0.00 0.02 0.00 0.00 54.97 55.69 1sjg s GLU 27 Cb -0.14 -3.57 -0.01 0.00 0.10 0.00 0.00 34.13 30.51 1sjg s GLU 27 CO 0.15 -0.17 -0.05 0.08 0.02 0.00 0.00 175.26 175.29 1sjg s VAL 28 N 1.70 0.39 -0.29 2.63 1.01 0.74 -2.75 120.40 123.83 1sjg s VAL 28 Ca 0.24 -0.41 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 1sjg s VAL 28 Cb -0.15 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.86 1sjg s VAL 28 CO 0.10 -0.02 0.91 -0.22 0.00 0.00 0.00 175.10 175.86 1sjg s LEU 29 N -0.47 4.04 -0.31 3.92 2.96 0.13 -0.24 118.68 128.70 1sjg s LEU 29 Ca -0.01 0.91 -0.07 0.00 -0.22 0.00 0.00 54.13 54.73 1sjg s LEU 29 Cb -0.04 -3.29 0.01 0.00 0.50 0.00 0.00 46.19 43.38 1sjg s LEU 29 CO -0.00 -0.69 0.10 -0.63 -1.32 0.00 0.00 176.35 173.81 1sjg s ILE 30 N 3.18 4.04 -0.09 6.68 1.01 0.93 -1.25 121.20 135.70 1sjg s ILE 30 Ca 0.38 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1sjg s ILE 30 Cb -0.14 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 1sjg s ILE 30 CO 0.12 0.00 -0.08 0.54 0.00 0.00 0.00 174.94 175.53 1sjg s VAL 31 N 1.50 3.62 -0.36 2.92 0.11 0.77 -1.65 120.40 127.31 1sjg s VAL 31 Ca 0.02 -0.50 -0.06 0.00 -2.93 0.00 0.00 61.98 58.51 1sjg s VAL 31 Cb -0.18 -2.50 0.06 0.00 -1.53 0.00 0.00 36.38 32.23 1sjg s VAL 31 CO 0.03 0.57 0.14 0.21 -3.33 0.00 0.00 175.10 172.72 1sjg s ASN 32 N -0.49 5.33 0.05 3.54 2.47 0.01 0.10 114.94 125.94 1sjg s ASN 32 Ca 0.07 -1.33 -0.02 0.00 0.42 0.00 0.00 52.86 52.00 1sjg s ASN 32 Cb -0.12 -1.87 -0.04 0.00 -1.45 0.00 0.00 41.25 37.77 1sjg s ASN 32 CO 0.02 -0.39 0.23 -0.55 -3.72 0.00 0.00 177.10 172.69 1sjg s SER 33 N 1.58 6.39 0.14 -4.21 0.15 0.90 0.78 113.70 119.44 1sjg s SER 33 Ca -0.00 0.36 -0.05 0.00 0.70 0.00 0.00 55.95 56.96 1sjg s SER 33 Cb -0.21 -2.00 -0.06 0.00 -1.71 0.00 0.00 66.02 62.04 1sjg s SER 33 CO 0.01 0.19 1.33 1.05 1.20 0.00 0.00 173.24 177.02 1sjg h GLU 34 N 3.32 0.46 0.02 5.44 9.09 -1.89 -2.22 114.58 128.79 1sjg h GLU 34 Ca -0.47 -0.45 -0.36 0.00 0.05 0.00 0.00 59.36 58.13 1sjg h GLU 34 Cb 1.17 0.12 -0.05 0.00 -1.65 0.00 0.00 28.75 28.34 1sjg h GLU 34 CO 0.73 1.09 -2.05 -1.91 0.05 0.00 0.00 179.01 176.93 1sjg n GLU 35 N -3.79 0.62 0.00 1.06 2.13 -1.26 -4.43 120.64 114.96 1sjg n GLU 35 Ca -0.06 0.34 0.13 0.00 0.66 0.00 0.00 57.16 58.23 1sjg n GLU 35 Cb 0.79 -1.61 0.39 0.00 0.27 0.00 0.00 31.44 31.28 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 -4.02 0.00 -4.11 4.31 8.25 -1.26 -5.04 115.22 113.35 1sjg n HIS 36 Ca -0.43 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.03 1sjg n HIS 36 Cb 0.87 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.77 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 1.40 -1.59 3.71 -1.41 0.00 -0.84 -4.74 105.19 101.72 1sjg n GLY 37 Ca 0.10 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 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 0.00 4.93 0.00 1.61 1.01 -1.26 -0.07 120.40 126.62 1sjg s VAL 38 Ca 0.00 1.79 0.05 0.00 0.00 0.00 0.00 61.98 63.82 1sjg s VAL 38 Cb 0.00 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1sjg s VAL 38 CO 0.00 0.17 -0.16 -0.54 0.00 0.00 0.00 175.10 174.57 1sjg s LYS 39 N 1.13 1.23 -0.14 2.72 -0.14 0.11 -4.77 119.74 119.89 1sjg s LYS 39 Ca 0.45 -0.64 0.01 0.00 -1.36 0.00 0.00 55.97 54.43 1sjg s LYS 39 Cb -0.19 -1.21 0.02 0.00 -1.68 0.00 0.00 37.83 34.76 1sjg s LYS 39 CO 0.22 0.33 -0.14 0.00 -0.76 0.00 0.00 175.35 175.00 1sjg s ALA 40 N -0.50 1.78 0.07 5.17 0.00 -1.26 -0.17 121.76 126.86 1sjg s ALA 40 Ca 0.05 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.22 1sjg s ALA 40 Cb -0.07 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 1sjg s ALA 40 CO -0.00 -0.31 -0.11 0.71 0.00 0.00 0.00 175.76 176.05 1sjg s TYR 41 N 1.39 1.01 0.24 0.00 2.02 -0.38 -1.52 117.35 120.11 1sjg s TYR 41 Ca 0.02 -0.55 -0.30 0.00 -0.37 0.00 0.00 57.07 55.88 1sjg s TYR 41 Cb -0.13 -0.57 -0.15 0.00 -0.40 0.00 0.00 41.96 40.71 1sjg s TYR 41 CO -0.08 -0.00 1.04 1.04 -1.57 0.00 0.00 175.55 175.97 1sjg n GLN 42 N 1.04 1.22 -0.46 -0.62 6.02 -1.25 0.17 117.38 123.51 1sjg n GLN 42 Ca -0.20 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 1sjg n GLN 42 Cb 0.56 -1.83 0.00 0.00 1.02 0.00 0.00 30.24 29.99 1sjg n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sjg n ALA 43 N 0.66 1.91 0.15 -1.58 0.00 -1.11 -4.54 120.51 116.01 1sjg n ALA 43 Ca 0.12 -0.90 0.01 0.00 0.00 0.00 0.00 53.44 52.66 1sjg n ALA 43 Cb 0.29 -0.43 0.28 0.00 0.00 0.00 0.00 19.45 19.59 1sjg n ALA 43 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1sjg h MET 44 N 0.00 0.06 -6.26 0.00 2.86 -0.81 -3.43 114.93 107.34 1sjg h MET 44 Ca 0.00 -0.03 -0.56 0.00 -2.06 0.00 0.00 59.70 57.06 1sjg h MET 44 Cb 1.34 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.97 1sjg h MET 44 CO 0.00 0.49 0.72 0.00 1.06 0.00 0.00 176.91 179.17 1sjg s PRO 46 N 2.45 2.49 0.23 0.00 0.05 -1.13 -3.00 135.00 136.09 1sjg s PRO 46 Ca 0.54 -1.48 0.14 0.00 0.05 0.00 0.00 61.00 60.24 1sjg s PRO 46 Cb -0.22 -3.67 0.00 0.00 0.05 0.00 0.00 34.50 30.66 1sjg s PRO 46 CO 0.19 -0.92 1.34 1.25 0.05 0.00 0.00 177.00 178.91 1sjg h HIS 47 N 8.30 0.00 -3.61 0.56 2.76 0.91 -3.38 115.15 120.68 1sjg h HIS 47 Ca -0.21 0.00 -0.70 0.00 -2.20 0.00 0.00 60.37 57.26 1sjg h HIS 47 Cb 1.07 0.00 -0.25 0.00 1.55 0.00 0.00 27.41 29.79 1sjg h HIS 47 CO 0.60 0.58 -0.54 -1.14 -1.30 0.00 0.00 177.93 176.13 1sjg s GLN 48 N -2.92 2.95 -1.14 5.26 2.00 -1.26 -4.69 119.66 119.86 1sjg s GLN 48 Ca 0.03 -0.98 -0.22 0.00 -2.00 0.00 0.00 55.36 52.19 1sjg s GLN 48 Cb 0.08 -3.63 -0.02 0.00 0.80 0.00 0.00 33.01 30.25 1sjg s GLN 48 CO 0.76 -0.60 1.81 -1.83 -0.50 0.00 0.00 175.29 174.93 1sjg s GLU 49 N 1.55 3.09 0.00 1.67 -1.05 -1.26 -4.67 118.70 118.02 1sjg s GLU 49 Ca 0.02 -1.23 0.00 0.00 -0.15 0.00 0.00 54.97 53.61 1sjg s GLU 49 Cb -0.18 -5.31 0.00 0.00 -0.44 0.00 0.00 34.13 28.20 1sjg s GLU 49 CO 0.06 -3.13 0.00 1.51 0.95 0.00 0.00 175.26 174.65 1sjg n ILE 50 N 7.29 0.00 -1.88 1.83 3.06 -1.26 -5.09 119.36 123.31 1sjg n ILE 50 Ca 0.43 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 60.26 1sjg n ILE 50 Cb 0.47 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.62 1sjg n ILE 50 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 1sjg s LEU 51 N 0.00 4.37 0.20 9.51 1.43 -1.26 -4.88 118.68 128.05 1sjg s LEU 51 Ca 0.00 2.48 -0.10 0.00 -1.03 0.00 0.00 54.13 55.48 1sjg s LEU 51 Cb 0.00 -3.55 0.24 0.00 0.03 0.00 0.00 46.19 42.91 1sjg s LEU 51 CO 0.00 -0.94 1.79 0.17 0.23 0.00 0.00 176.35 177.59 1sjg h LEU 52 N 9.48 0.43 -2.12 1.79 -0.00 -1.93 -1.62 115.31 121.35 1sjg h LEU 52 Ca -0.43 0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.47 1sjg h LEU 52 Cb 1.20 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1sjg h LEU 52 CO 0.94 0.27 -0.08 0.77 -0.00 0.00 0.00 178.44 180.35 1sjg h SER 53 N 0.57 0.00 -0.06 0.17 4.64 -1.90 -0.43 113.55 116.55 1sjg h SER 53 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1sjg h SER 53 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1sjg h SER 53 CO -0.21 0.08 0.00 -0.62 -0.87 0.00 0.00 176.83 175.20 1sjg n GLU 54 N -3.61 1.31 -2.38 4.77 -0.58 -0.61 -3.95 120.64 115.58 1sjg n GLU 54 Ca -0.02 -0.47 0.01 0.00 -0.42 0.00 0.00 57.16 56.26 1sjg n GLU 54 Cb 0.19 -1.38 0.04 0.00 -0.57 0.00 0.00 31.44 29.72 1sjg n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sjg n GLY 55 N 0.97 1.55 0.00 0.62 0.00 -0.17 -4.96 105.19 103.20 1sjg n GLY 55 Ca 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1sjg n GLY 55 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sjg n SER 56 N -0.24 0.00 -4.55 1.61 7.64 -1.21 -4.48 113.62 112.39 1sjg n SER 56 Ca 0.07 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.53 1sjg n SER 56 Cb 0.92 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 64.05 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 0.00 3.10 -0.31 1.43 5.04 -1.26 0.78 117.35 126.13 1sjg s TYR 57 Ca 0.00 0.24 0.02 0.00 -2.44 0.00 0.00 57.07 54.89 1sjg s TYR 57 Cb 0.00 -3.30 0.08 0.00 0.35 0.00 0.00 41.96 39.09 1sjg s TYR 57 CO 0.00 -0.76 -0.00 -1.21 -1.34 0.00 0.00 175.55 172.24 1sjg s GLU 58 N 2.87 1.97 0.00 4.97 2.02 0.72 -4.93 118.70 126.32 1sjg s GLU 58 Ca 0.25 -1.57 0.00 0.00 0.02 0.00 0.00 54.97 53.67 1sjg s GLU 58 Cb -0.14 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 30.97 1sjg s GLU 58 CO 0.17 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 175.10 1sjg n GLY 59 N 4.41 1.36 0.00 -1.39 0.00 -1.26 -1.08 105.19 107.23 1sjg n GLY 59 Ca -0.06 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.41 3.55 -0.02 0.00 -1.26 -5.08 105.19 101.96 1sjg n GLY 60 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.82 -0.17 1.61 1.01 -0.24 -2.42 120.40 124.00 1sjg s VAL 61 Ca 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 1sjg s VAL 61 Cb 0.00 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1sjg s VAL 61 CO 0.00 0.55 0.03 -0.63 0.00 0.00 0.00 175.10 175.05 1sjg s ILE 62 N -0.26 4.46 0.14 2.22 1.01 -0.93 -0.20 121.20 127.64 1sjg s ILE 62 Ca 0.04 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.61 1sjg s ILE 62 Cb -0.13 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1sjg s ILE 62 CO 0.02 0.47 -0.03 -0.89 0.00 0.00 0.00 174.94 174.52 1sjg s THR 63 N 0.36 3.65 0.00 2.92 2.01 0.23 -3.88 115.64 120.94 1sjg s THR 63 Ca 0.00 -1.31 0.00 0.00 0.31 0.00 0.00 61.69 60.69 1sjg s THR 63 Cb -0.13 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.60 1sjg s THR 63 CO 0.01 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 1sjg n ARG 65 N 0.00 3.21 -1.54 0.00 0.63 -1.16 0.13 116.66 117.93 1sjg n ARG 65 Ca 0.00 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.56 1sjg n ARG 65 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 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 -3.00 0.71 -2.62 5.13 0.00 -1.26 -4.25 120.51 115.22 1sjg n ALA 66 Ca 0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 53.44 52.64 1sjg n ALA 66 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 16.44 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 14.74 -3.17 -1.25 0.00 8.25 -1.26 -5.06 115.22 127.47 1sjg n HIS 67 Ca 0.43 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1sjg n HIS 67 Cb 0.44 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.52 1sjg n HIS 67 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1sjg n LEU 68 N 0.00 0.00 0.00 2.41 0.00 -1.26 -5.10 117.00 113.05 1sjg n LEU 68 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 56.01 55.91 1sjg n LEU 68 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.45 1sjg n LEU 68 CO 0.02 0.12 0.00 0.79 0.00 0.00 0.00 177.39 178.32 1sjg n TRP 69 N 0.00 0.00 -4.42 1.96 8.01 -1.26 -5.17 117.44 116.56 1sjg n TRP 69 Ca 0.00 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 55.98 1sjg n TRP 69 Cb 0.47 0.00 -0.10 0.00 -2.01 0.00 0.00 31.31 29.67 1sjg n TRP 69 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 1sjg s THR 70 N -1.62 1.91 0.01 -0.99 -4.23 -1.26 -4.99 115.64 104.47 1sjg s THR 70 Ca 0.00 -2.23 0.08 0.00 -1.18 0.00 0.00 61.69 58.37 1sjg s THR 70 Cb 0.00 -2.28 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 1sjg s THR 70 CO 0.00 -0.42 -0.25 0.12 -0.54 0.00 0.00 174.62 173.52 1sjg s PHE 71 N -2.85 2.36 -0.01 3.99 2.19 -1.25 -2.10 117.98 120.30 1sjg s PHE 71 Ca 0.27 -0.40 0.08 0.00 0.33 0.00 0.00 56.93 57.21 1sjg s PHE 71 Cb 0.00 -1.45 -0.02 0.00 -1.31 0.00 0.00 43.02 40.24 1sjg s PHE 71 CO 0.11 0.07 -0.25 1.21 1.83 0.00 0.00 175.22 178.19 1sjg s ASN 72 N -0.98 3.18 -0.08 6.13 3.84 -0.68 -2.19 114.94 124.16 1sjg s ASN 72 Ca 0.11 -0.46 -0.20 0.00 0.21 0.00 0.00 52.86 52.52 1sjg s ASN 72 Cb -0.10 -0.39 -0.16 0.00 -0.55 0.00 0.00 41.25 40.05 1sjg s ASN 72 CO 0.01 0.31 0.75 -0.78 -2.79 0.00 0.00 177.10 174.61 1sjg h ASP 73 N 5.37 -0.11 -0.80 -4.21 3.58 -1.77 -1.77 116.42 116.73 1sjg h ASP 73 Ca -0.44 -0.46 -0.01 0.00 0.42 0.00 0.00 57.03 56.54 1sjg h ASP 73 Cb 1.13 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 42.17 1sjg h ASP 73 CO 0.47 0.54 0.47 1.23 -2.88 0.00 0.00 179.24 179.06 1sjg h GLY 74 N -0.89 1.18 1.94 -0.78 0.00 -1.96 -0.95 103.07 101.59 1sjg h GLY 74 Ca -0.01 -0.50 -0.22 0.00 0.00 0.00 0.00 47.33 46.60 1sjg h GLY 74 CO 0.02 0.48 -1.01 -0.84 0.00 0.00 0.00 176.54 175.19 1sjg h THR 75 N 1.11 1.66 -4.24 4.70 2.02 -1.94 -3.48 112.91 112.76 1sjg h THR 75 Ca 0.29 -3.28 -0.26 0.00 0.77 0.00 0.00 66.41 63.94 1sjg h THR 75 Cb -0.02 2.81 0.10 0.00 -1.74 0.00 0.00 68.15 69.30 1sjg h THR 75 CO -0.05 0.94 -0.46 0.61 0.37 0.00 0.00 175.52 176.93 1sjg n GLY 76 N 1.30 -0.05 3.52 2.16 0.00 -0.36 -5.01 105.19 106.75 1sjg n GLY 76 Ca -0.01 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.22 -0.65 0.11 1.61 2.46 -1.00 -3.20 115.29 111.41 1sjg s HIS 77 Ca 0.32 1.09 -0.30 0.00 0.47 0.00 0.00 55.06 56.63 1sjg s HIS 77 Cb -0.14 0.42 -0.06 0.00 -0.13 0.00 0.00 32.58 32.67 1sjg s HIS 77 CO 0.48 -0.62 1.04 0.20 -2.47 0.00 0.00 174.74 173.37 1sjg s GLY 78 N -1.27 2.87 0.15 1.59 0.00 -0.95 -1.68 107.32 108.02 1sjg s GLY 78 Ca -0.10 0.68 -0.07 0.00 0.00 0.00 0.00 44.72 45.23 1sjg s GLY 78 CO 0.09 1.63 1.39 -2.22 0.00 0.00 0.00 173.10 173.99 1sjg h ILE 79 N 4.11 1.32 -2.86 0.90 1.08 -1.75 -3.32 117.51 116.98 1sjg h ILE 79 Ca -0.43 -1.98 -0.22 0.00 -0.39 0.00 0.00 64.86 61.84 1sjg h ILE 79 Cb 1.21 1.96 -0.33 0.00 -3.07 0.00 0.00 36.82 36.60 1sjg h ILE 79 CO 0.74 0.62 -0.53 0.21 -0.69 0.00 0.00 178.15 178.49 1sjg s ASN 80 N -7.02 0.36 0.41 1.72 3.84 -1.03 -4.04 114.94 109.18 1sjg s ASN 80 Ca -0.08 0.59 -0.11 0.00 0.21 0.00 0.00 52.86 53.47 1sjg s ASN 80 Cb 0.10 0.69 -0.07 0.00 -0.55 0.00 0.00 41.25 41.43 1sjg s ASN 80 CO 0.87 -0.24 0.78 -2.16 -2.79 0.00 0.00 177.10 173.56 1sjg s PRO 81 N 2.42 3.79 0.26 0.43 0.04 -1.26 -4.45 135.00 136.23 1sjg s PRO 81 Ca 0.01 0.50 0.26 0.00 0.04 0.00 0.00 61.00 61.81 1sjg s PRO 81 Cb -0.12 -2.38 0.76 0.00 0.04 0.00 0.00 34.50 32.80 1sjg s PRO 81 CO -0.08 -0.04 1.75 0.22 0.04 0.00 0.00 177.00 178.88 1sjg h ASP 82 N 1.26 0.00 -0.65 6.66 3.58 -1.70 -3.25 116.42 122.32 1sjg h ASP 82 Ca -0.47 0.00 0.14 0.00 0.42 0.00 0.00 57.03 57.12 1sjg h ASP 82 Cb 1.19 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.20 1sjg h ASP 82 CO 0.64 0.00 0.44 -0.78 -2.88 0.00 0.00 179.24 176.66 1sjg h ASP 83 N 0.00 0.27 -4.41 2.28 3.58 -1.94 -3.43 116.42 112.77 1sjg h ASP 83 Ca 0.00 0.01 -0.27 0.00 0.42 0.00 0.00 57.03 57.19 1sjg h ASP 83 Cb 0.75 -0.04 -0.15 0.00 1.72 0.00 0.00 39.33 41.61 1sjg h ASP 83 CO 0.00 0.15 -0.69 0.00 -2.88 0.00 0.00 179.24 175.82 1sjg s LEU 86 N 0.00 4.36 -0.36 0.00 0.05 -1.19 -4.74 118.68 116.79 1sjg s LEU 86 Ca 0.07 0.54 -0.13 0.00 0.05 0.00 0.00 54.13 54.66 1sjg s LEU 86 Cb 0.00 -2.78 -0.01 0.00 -2.05 0.00 0.00 46.19 41.36 1sjg s LEU 86 CO 0.05 0.22 0.25 0.00 -0.55 0.00 0.00 176.35 176.32 1sjg s ALA 87 N -1.36 3.49 -0.27 1.48 0.00 -1.26 -4.90 121.76 118.94 1sjg s ALA 87 Ca 0.30 -1.49 -0.28 0.00 0.00 0.00 0.00 51.96 50.50 1sjg s ALA 87 Cb -0.13 -2.72 0.01 0.00 0.00 0.00 0.00 23.12 20.28 1sjg s ALA 87 CO 0.18 -1.12 0.99 -1.21 0.00 0.00 0.00 175.76 174.61 1sjg s GLU 88 N 1.70 4.15 -0.19 0.00 2.02 -1.26 -3.81 118.70 121.31 1sjg s GLU 88 Ca 0.06 1.12 -0.19 0.00 0.02 0.00 0.00 54.97 55.98 1sjg s GLU 88 Cb -0.18 -3.68 -0.03 0.00 0.10 0.00 0.00 34.13 30.34 1sjg s GLU 88 CO 0.10 -0.71 0.56 0.71 0.02 0.00 0.00 175.26 175.94 1sjg s TYR 89 N 3.27 3.39 0.04 1.61 2.02 -0.57 -4.97 117.35 122.14 1sjg s TYR 89 Ca 0.42 0.84 -0.30 0.00 -0.37 0.00 0.00 57.07 57.66 1sjg s TYR 89 Cb -0.14 -2.71 -0.09 0.00 -0.40 0.00 0.00 41.96 38.62 1sjg s TYR 89 CO 0.10 -0.10 1.97 -2.14 -1.57 0.00 0.00 175.55 173.81 1sjg s PRO 90 N 1.64 4.14 -0.08 -1.71 0.02 -1.22 -4.13 135.00 133.66 1sjg s PRO 90 Ca 0.26 2.62 0.03 0.00 0.02 0.00 0.00 61.00 63.93 1sjg s PRO 90 Cb -0.16 -4.16 0.01 0.00 0.02 0.00 0.00 34.50 30.21 1sjg s PRO 90 CO 0.10 -0.96 -0.17 0.54 -0.33 0.00 0.00 177.00 176.19 1sjg s VAL 91 N 4.45 1.49 -0.11 3.83 0.11 -1.26 0.23 120.40 129.13 1sjg s VAL 91 Ca 0.88 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 1sjg s VAL 91 Cb -0.43 -1.32 -0.01 0.00 -1.53 0.00 0.00 36.38 33.09 1sjg s VAL 91 CO 0.42 0.43 -0.16 -0.70 -3.33 0.00 0.00 175.10 171.76 1sjg s GLU 92 N 0.51 3.18 -0.24 1.54 2.12 0.11 -4.89 118.70 121.03 1sjg s GLU 92 Ca -0.16 -0.73 -0.03 0.00 0.36 0.00 0.00 54.97 54.41 1sjg s GLU 92 Cb -0.16 -2.52 0.01 0.00 0.26 0.00 0.00 34.13 31.72 1sjg s GLU 92 CO 0.06 0.27 -0.04 0.54 -0.54 0.00 0.00 175.26 175.54 1sjg s VAL 93 N 0.19 3.17 -0.35 3.70 0.11 -1.26 -0.66 120.40 125.30 1sjg s VAL 93 Ca -0.09 -0.77 0.02 0.00 -2.93 0.00 0.00 61.98 58.21 1sjg s VAL 93 Cb -0.16 -2.53 0.10 0.00 -1.53 0.00 0.00 36.38 32.27 1sjg s VAL 93 CO 0.06 0.29 0.10 -0.54 -3.33 0.00 0.00 175.10 171.68 1sjg s LYS 94 N 1.41 1.16 5.41 1.54 3.01 0.11 -4.98 119.74 127.40 1sjg s LYS 94 Ca 0.03 -1.59 0.00 0.00 -1.01 0.00 0.00 55.97 53.40 1sjg s LYS 94 Cb -0.16 -2.62 0.00 0.00 -1.01 0.00 0.00 37.83 34.05 1sjg s LYS 94 CO -0.04 -0.99 0.00 0.41 0.51 0.00 0.00 175.35 175.24 1sjg n GLY 95 N 4.37 1.53 0.23 -3.33 0.00 -1.26 -1.26 105.19 105.48 1sjg n GLY 95 Ca 0.02 0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.11 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 9.70 1.22 -4.78 1.61 2.03 -1.26 -4.73 116.55 120.34 1sjg n ASP 96 Ca 0.00 -1.11 -0.36 0.00 0.52 0.00 0.00 54.79 53.84 1sjg n ASP 96 Cb 0.00 0.52 -0.07 0.00 -0.72 0.00 0.00 41.12 40.85 1sjg n ASP 96 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1sjg s ASP 97 N -1.53 6.29 -0.16 1.67 1.11 -0.39 0.13 116.67 123.79 1sjg s ASP 97 Ca 0.09 0.33 0.00 0.00 0.18 0.00 0.00 52.55 53.15 1sjg s ASP 97 Cb 0.09 -2.09 0.02 0.00 1.07 0.00 0.00 42.92 42.01 1sjg s ASP 97 CO 0.30 0.25 -0.15 -0.63 1.18 0.00 0.00 175.17 176.12 1sjg s ILE 98 N -0.07 1.64 0.02 0.77 1.01 -0.27 0.07 121.20 124.36 1sjg s ILE 98 Ca 0.11 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.10 1sjg s ILE 98 Cb -0.12 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 1sjg s ILE 98 CO 0.00 0.44 -0.10 -0.31 0.00 0.00 0.00 174.94 174.97 1sjg s TYR 99 N 1.45 2.78 0.01 3.97 1.51 0.17 -1.07 117.35 126.17 1sjg s TYR 99 Ca 0.04 -0.11 0.08 0.00 -1.01 0.00 0.00 57.07 56.07 1sjg s TYR 99 Cb -0.13 -1.56 -0.02 0.00 -0.11 0.00 0.00 41.96 40.14 1sjg s TYR 99 CO -0.11 0.33 -0.23 0.54 -1.11 0.00 0.00 175.55 174.97 1sjg s VAL 100 N -0.97 1.83 -0.17 0.71 0.11 0.49 0.08 120.40 122.47 1sjg s VAL 100 Ca 0.16 -1.13 -0.05 0.00 -2.93 0.00 0.00 61.98 58.03 1sjg s VAL 100 Cb -0.11 -1.55 -0.03 0.00 -1.53 0.00 0.00 36.38 33.16 1sjg s VAL 100 CO 0.07 0.39 0.01 -0.55 -3.33 0.00 0.00 175.10 171.69 1sjg s SER 101 N -0.87 5.15 0.00 3.54 0.15 0.13 -0.79 113.70 121.02 1sjg s SER 101 Ca 0.09 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1sjg s SER 101 Cb -0.09 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 1sjg s SER 101 CO 0.01 0.15 0.08 0.35 1.20 0.00 0.00 173.24 175.03 1sjg n THR 102 N 3.66 0.00 -2.57 6.45 -2.24 -1.26 -3.43 114.28 114.89 1sjg n THR 102 Ca -0.17 -0.48 -0.43 0.00 -2.27 0.00 0.00 64.05 60.70 1sjg n THR 102 Cb 0.52 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.74 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 -0.80 4.30 0.00 -0.78 2.20 -1.26 -3.41 119.74 119.99 1sjg s LYS 103 Ca 0.00 1.50 0.00 0.00 -0.36 0.00 0.00 55.97 57.11 1sjg s LYS 103 Cb 0.00 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1sjg s LYS 103 CO 0.00 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 174.84 1sjg n GLY 104 N 3.36 2.05 3.06 5.54 0.00 -1.26 -5.00 105.19 112.94 1sjg n GLY 104 Ca 0.12 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.62 2.17 0.26 -0.61 1.01 -1.22 -5.10 121.20 116.10 1sjg s ILE 105 Ca 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 60.65 58.87 1sjg s ILE 105 Cb 0.00 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 1sjg s ILE 105 CO 0.00 -0.13 0.50 -0.76 0.00 0.00 0.00 174.94 174.55 1sjg s LEU 106 N 1.07 4.11 0.49 2.97 1.02 -1.26 -4.84 118.68 122.24 1sjg s LEU 106 Ca -0.05 0.58 -0.24 0.00 0.02 0.00 0.00 54.13 54.44 1sjg s LEU 106 Cb -0.20 -3.39 -0.07 0.00 0.02 0.00 0.00 46.19 42.55 1sjg s LEU 106 CO -0.06 -0.15 1.39 -0.81 0.02 0.00 0.00 176.35 176.75 1sjg n PRO 107 N -0.91 2.02 -1.86 1.29 -0.04 -1.26 -4.86 135.00 129.38 1sjg n PRO 107 Ca -0.03 0.73 -0.30 0.00 -0.04 0.00 0.00 63.50 63.86 1sjg n PRO 107 Cb 0.54 -2.60 0.06 0.00 -0.04 0.00 0.00 33.50 31.47 1sjg n PRO 107 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1sjg s ASN 108 N -0.64 5.11 0.24 3.54 0.01 -1.26 -4.90 114.94 117.04 1sjg s ASN 108 Ca 0.65 1.05 -0.10 0.00 -0.71 0.00 0.00 52.86 53.75 1sjg s ASN 108 Cb -0.44 -1.76 0.35 0.00 0.41 0.00 0.00 41.25 39.81 1sjg s ASN 108 CO 0.54 -1.55 1.41 0.29 -1.51 0.00 0.00 177.10 176.28 1sjg n LYS 109 N -3.13 -0.12 0.08 -0.60 5.02 -1.26 -0.72 118.16 117.43 1sjg n LYS 109 Ca 0.07 1.40 0.02 0.00 -2.02 0.00 0.00 58.31 57.78 1sjg n LYS 109 Cb 0.58 -2.09 0.37 0.00 -0.02 0.00 0.00 35.03 33.88 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 1.63 1.49 0.00 7.82 0.00 -1.92 -3.45 119.26 124.84 1sjg h ALA 110 Ca 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1sjg h ALA 110 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1sjg h ALA 110 CO -0.92 0.36 0.00 0.72 0.00 0.00 0.00 179.25 179.41 1sjg n HIS 111 N -4.29 0.00 -0.19 0.00 8.25 0.10 -5.09 115.22 113.99 1sjg n HIS 111 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1sjg n HIS 111 Cb 0.25 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 1sjg n HIS 111 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85