#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 -7.94 -2.19 3.17 7.64 -1.26 -4.70 113.62 108.34 1sjg n SER 2 Ca 0.00 0.94 -0.04 0.00 1.01 0.00 0.00 58.87 60.78 1sjg n SER 2 Cb 0.00 -5.25 -0.03 0.00 -1.01 0.00 0.00 64.21 57.92 1sjg n SER 2 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1sjg n PHE 3 N 0.19 -2.93 -4.25 1.43 3.72 -1.25 -4.96 117.46 109.41 1sjg n PHE 3 Ca 0.06 1.71 -0.34 0.00 -0.05 0.00 0.00 57.45 58.83 1sjg n PHE 3 Cb 0.25 -3.08 -0.11 0.00 -0.94 0.00 0.00 39.48 35.60 1sjg n PHE 3 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1sjg s GLU 4 N -0.80 3.75 -0.21 -1.08 2.56 0.15 -4.75 118.70 118.32 1sjg s GLU 4 Ca -0.19 -0.45 -0.29 0.00 0.00 0.00 0.00 54.97 54.05 1sjg s GLU 4 Cb 0.01 -3.02 -0.03 0.00 2.00 0.00 0.00 34.13 33.10 1sjg s GLU 4 CO 0.50 0.28 1.58 0.21 -0.56 0.00 0.00 175.26 177.27 1sjg s LYS 5 N 0.29 3.86 -0.17 4.30 2.36 -1.26 -1.36 119.74 127.77 1sjg s LYS 5 Ca -0.01 1.68 -0.14 0.00 -2.55 0.00 0.00 55.97 54.95 1sjg s LYS 5 Cb -0.13 -4.01 -0.05 0.00 -1.05 0.00 0.00 37.83 32.59 1sjg s LYS 5 CO 0.02 -1.21 -0.27 -0.89 1.55 0.00 0.00 175.35 174.55 1sjg n ILE 6 N 6.25 1.47 -3.83 5.43 2.08 -0.69 -4.96 119.36 125.11 1sjg n ILE 6 Ca 0.18 0.16 -0.10 0.00 0.56 0.00 0.00 62.75 63.55 1sjg n ILE 6 Cb 0.45 -2.35 -0.01 0.00 -0.75 0.00 0.00 39.64 36.98 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 -2.61 6.20 0.50 0.00 1.04 -1.26 -0.51 113.70 117.06 1sjg s SER 8 Ca 0.19 0.15 0.31 0.00 0.48 0.00 0.00 55.95 57.08 1sjg s SER 8 Cb -0.02 -1.84 1.70 0.00 0.10 0.00 0.00 66.02 65.96 1sjg s SER 8 CO 0.14 0.09 1.95 0.25 0.98 0.00 0.00 173.24 176.64 1sjg h LEU 9 N 2.45 0.00 0.00 2.42 5.85 -1.36 0.31 115.31 124.99 1sjg h LEU 9 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1sjg h LEU 9 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1sjg h LEU 9 CO 0.69 0.00 -0.13 -0.67 -0.34 0.00 0.00 178.44 177.99 1sjg n ASP 10 N -2.64 0.24 -0.10 1.25 2.03 -1.26 -3.88 116.55 112.17 1sjg n ASP 10 Ca -0.02 0.34 -0.20 0.00 0.52 0.00 0.00 54.79 55.43 1sjg n ASP 10 Cb 0.12 -0.36 -0.12 0.00 -0.72 0.00 0.00 41.12 40.04 1sjg n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1sjg n ASP 11 N -1.63 2.00 -4.30 1.67 2.03 0.11 -4.84 116.55 111.59 1sjg n ASP 11 Ca 0.06 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 55.01 1sjg n ASP 11 Cb 0.36 -0.57 -0.13 0.00 -0.72 0.00 0.00 41.12 40.06 1sjg n ASP 11 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1sjg s ILE 12 N -2.52 3.71 0.37 5.18 1.10 -0.99 -5.04 121.20 123.01 1sjg s ILE 12 Ca -0.33 -0.83 0.07 0.00 -0.51 0.00 0.00 60.65 59.05 1sjg s ILE 12 Cb 0.09 -2.94 -0.01 0.00 0.15 0.00 0.00 42.46 39.76 1sjg s ILE 12 CO 0.62 0.06 0.48 0.26 -2.11 0.00 0.00 174.94 174.25 1sjg s TRP 13 N 1.45 2.98 0.06 3.50 0.52 -1.26 -4.61 118.94 121.57 1sjg s TRP 13 Ca 0.01 -0.30 -0.31 0.00 0.02 0.00 0.00 56.10 55.53 1sjg s TRP 13 Cb -0.17 -2.10 -0.06 0.00 -1.15 0.00 0.00 33.47 29.98 1sjg s TRP 13 CO 0.01 -0.12 1.28 0.54 0.02 0.00 0.00 176.95 178.68 1sjg s VAL 14 N -2.26 3.82 0.00 4.03 0.11 -1.26 -2.23 120.40 122.60 1sjg s VAL 14 Ca 0.48 1.28 0.00 0.00 -2.93 0.00 0.00 61.98 60.81 1sjg s VAL 14 Cb -0.09 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 1sjg s VAL 14 CO 0.31 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.76 1sjg n GLY 15 N 3.37 0.56 3.79 6.54 0.00 0.14 -4.97 105.19 114.62 1sjg n GLY 15 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.82 3.13 -0.02 1.61 0.41 -0.95 -4.94 118.70 117.11 1sjg s GLU 16 Ca 0.00 -0.42 0.01 0.00 -0.41 0.00 0.00 54.97 54.15 1sjg s GLU 16 Cb 0.00 -2.91 0.01 0.00 -1.78 0.00 0.00 34.13 29.46 1sjg s GLU 16 CO 0.00 0.67 -0.04 0.00 -0.49 0.00 0.00 175.26 175.40 1sjg s MET 17 N -1.56 0.60 0.08 1.61 0.23 -1.26 -1.25 119.30 117.74 1sjg s MET 17 Ca 0.21 -0.12 -0.23 0.00 -1.03 0.00 0.00 55.69 54.52 1sjg s MET 17 Cb -0.12 -0.62 0.06 0.00 -1.53 0.00 0.00 34.83 32.62 1sjg s MET 17 CO 0.12 -0.00 0.55 -1.83 -2.03 0.00 0.00 175.02 171.83 1sjg s GLU 18 N 0.49 1.11 0.02 3.16 -1.05 0.74 -4.66 118.70 118.51 1sjg s GLU 18 Ca -0.06 -0.29 -0.18 0.00 -0.15 0.00 0.00 54.97 54.29 1sjg s GLU 18 Cb -0.09 0.51 -0.06 0.00 -0.44 0.00 0.00 34.13 34.05 1sjg s GLU 18 CO -0.00 -0.43 0.52 -0.08 0.95 0.00 0.00 175.26 176.22 1sjg s THR 19 N -2.80 4.90 0.16 1.83 -1.32 -1.26 0.04 115.64 117.19 1sjg s THR 19 Ca -0.03 1.10 0.08 0.00 -1.21 0.00 0.00 61.69 61.62 1sjg s THR 19 Cb -0.00 -3.85 -0.04 0.00 -1.51 0.00 0.00 72.50 67.10 1sjg s THR 19 CO -0.05 0.50 -0.16 -0.36 -2.21 0.00 0.00 174.62 172.34 1sjg s PHE 20 N -0.69 1.69 -0.03 9.09 0.08 0.71 -4.93 117.98 123.91 1sjg s PHE 20 Ca 0.28 -0.51 0.04 0.00 0.12 0.00 0.00 56.93 56.86 1sjg s PHE 20 Cb -0.18 -0.84 -0.03 0.00 -0.57 0.00 0.00 43.02 41.40 1sjg s PHE 20 CO 0.16 0.29 -0.14 -2.00 -0.10 0.00 0.00 175.22 173.43 1sjg s GLU 21 N -2.92 2.44 0.80 0.44 2.12 -1.26 -0.44 118.70 119.88 1sjg s GLU 21 Ca 0.15 -0.75 -0.10 0.00 0.36 0.00 0.00 54.97 54.64 1sjg s GLU 21 Cb -0.05 -2.37 0.11 0.00 0.26 0.00 0.00 34.13 32.09 1sjg s GLU 21 CO 0.06 0.61 1.14 0.95 -0.54 0.00 0.00 175.26 177.47 1sjg s THR 22 N -0.81 2.12 0.18 -1.70 -4.23 0.21 -4.89 115.64 106.52 1sjg s THR 22 Ca 0.13 -0.16 0.35 0.00 -1.18 0.00 0.00 61.69 60.83 1sjg s THR 22 Cb -0.11 -2.96 0.40 0.00 1.34 0.00 0.00 72.50 71.17 1sjg s THR 22 CO 0.02 0.00 2.03 0.28 -0.54 0.00 0.00 174.62 176.42 1sjg h SER 23 N -0.98 0.00 0.98 3.99 0.02 -1.93 -1.23 113.55 114.40 1sjg h SER 23 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1sjg h SER 23 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1sjg h SER 23 CO 0.54 0.01 -0.24 -0.67 -1.14 0.00 0.00 176.83 175.33 1sjg n ASP 24 N -3.10 0.46 0.00 3.07 -0.08 -1.26 -4.92 116.55 110.72 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 0.28 -0.27 0.00 0.00 2.34 0.00 0.00 41.12 43.47 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 1.42 1.24 3.66 0.27 0.00 -0.46 -5.07 105.19 106.25 1sjg n GLY 25 Ca 0.06 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 5.12 -0.10 2.61 2.01 -1.26 -4.81 115.64 117.21 1sjg s THR 26 Ca 0.00 0.91 -0.21 0.00 0.31 0.00 0.00 61.69 62.69 1sjg s THR 26 Cb 0.00 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1sjg s THR 26 CO 0.00 0.19 0.61 -1.61 -0.69 0.00 0.00 174.62 173.12 1sjg s GLU 27 N 1.59 4.37 0.00 4.92 2.02 -1.26 -0.62 118.70 129.72 1sjg s GLU 27 Ca 0.23 0.69 0.03 0.00 0.02 0.00 0.00 54.97 55.94 1sjg s GLU 27 Cb -0.15 -3.46 -0.01 0.00 0.10 0.00 0.00 34.13 30.60 1sjg s GLU 27 CO 0.09 0.05 -0.09 0.08 0.02 0.00 0.00 175.26 175.41 1sjg s VAL 28 N 0.91 0.73 -0.32 2.63 1.01 0.42 -3.49 120.40 122.29 1sjg s VAL 28 Ca 0.32 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 1sjg s VAL 28 Cb -0.16 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 1sjg s VAL 28 CO 0.14 0.14 0.48 -0.22 0.00 0.00 0.00 175.10 175.64 1sjg s LEU 29 N -0.39 4.27 -0.23 3.92 1.98 0.11 -0.21 118.68 128.14 1sjg s LEU 29 Ca 0.02 0.07 -0.07 0.00 -2.89 0.00 0.00 54.13 51.27 1sjg s LEU 29 Cb -0.04 -2.54 -0.03 0.00 0.66 0.00 0.00 46.19 44.23 1sjg s LEU 29 CO -0.00 -0.39 0.07 -0.63 -1.89 0.00 0.00 176.35 173.50 1sjg s ILE 30 N 2.29 4.42 -0.18 6.68 1.09 0.11 0.02 121.20 135.63 1sjg s ILE 30 Ca 0.18 -0.14 -0.01 0.00 -1.10 0.00 0.00 60.65 59.57 1sjg s ILE 30 Cb -0.16 -3.05 -0.00 0.00 -1.06 0.00 0.00 42.46 38.20 1sjg s ILE 30 CO 0.12 0.37 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.52 1sjg s VAL 31 N 1.27 2.88 -0.43 2.92 1.01 0.38 -0.18 120.40 128.25 1sjg s VAL 31 Ca 0.05 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 1sjg s VAL 31 Cb -0.15 -2.25 0.06 0.00 0.00 0.00 0.00 36.38 34.04 1sjg s VAL 31 CO 0.03 0.49 0.31 0.21 0.00 0.00 0.00 175.10 176.14 1sjg s ASN 32 N 1.02 5.89 0.06 3.32 2.47 -0.38 -0.54 114.94 126.79 1sjg s ASN 32 Ca -0.01 -1.29 -0.02 0.00 0.42 0.00 0.00 52.86 51.96 1sjg s ASN 32 Cb -0.15 -2.08 -0.04 0.00 -1.45 0.00 0.00 41.25 37.52 1sjg s ASN 32 CO -0.02 -0.54 0.25 -0.44 -3.72 0.00 0.00 177.10 172.62 1sjg s SER 33 N 2.16 6.40 0.07 -4.21 0.01 0.13 0.23 113.70 118.50 1sjg s SER 33 Ca 0.03 0.38 -0.22 0.00 1.31 0.00 0.00 55.95 57.45 1sjg s SER 33 Cb -0.22 -2.01 -0.13 0.00 0.21 0.00 0.00 66.02 63.87 1sjg s SER 33 CO 0.05 0.17 1.62 -0.08 0.41 0.00 0.00 173.24 175.42 1sjg h GLU 34 N 3.27 0.14 0.02 12.44 4.81 -1.93 -1.92 114.58 131.41 1sjg h GLU 34 Ca -0.46 -0.02 -0.39 0.00 -0.13 0.00 0.00 59.36 58.35 1sjg h GLU 34 Cb 1.17 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.47 1sjg h GLU 34 CO 0.73 0.24 -2.39 -1.91 -0.73 0.00 0.00 179.01 174.95 1sjg n GLU 35 N -4.93 0.67 0.03 1.92 2.13 -1.26 -4.32 120.64 114.87 1sjg n GLU 35 Ca -0.06 0.17 0.14 0.00 0.66 0.00 0.00 57.16 58.07 1sjg n GLU 35 Cb 0.10 -1.55 0.55 0.00 0.27 0.00 0.00 31.44 30.81 1sjg n GLU 35 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1sjg n HIS 36 N -3.33 0.28 -3.07 4.31 -0.00 -1.26 -5.02 115.22 107.12 1sjg n HIS 36 Ca -0.44 0.08 0.00 0.00 0.46 0.00 0.00 57.72 57.82 1sjg n HIS 36 Cb 1.00 -0.63 0.00 0.00 -0.12 0.00 0.00 29.99 30.23 1sjg n HIS 36 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1sjg n GLY 37 N 1.40 -1.90 3.57 1.57 0.00 -0.72 -4.78 105.19 104.33 1sjg n GLY 37 Ca 0.06 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 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 5.27 0.07 1.61 0.11 -1.26 0.19 120.40 126.39 1sjg s VAL 38 Ca 0.00 0.10 0.04 0.00 -2.93 0.00 0.00 61.98 59.19 1sjg s VAL 38 Cb 0.00 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 31.18 1sjg s VAL 38 CO 0.00 0.12 -0.12 -0.75 -3.33 0.00 0.00 175.10 171.02 1sjg s LYS 39 N 1.83 0.78 0.01 1.54 2.20 0.30 -4.71 119.74 121.69 1sjg s LYS 39 Ca 0.08 -0.97 0.06 0.00 -0.36 0.00 0.00 55.97 54.79 1sjg s LYS 39 Cb -0.16 -0.68 -0.03 0.00 -1.51 0.00 0.00 37.83 35.44 1sjg s LYS 39 CO 0.11 0.14 -0.18 0.00 -0.36 0.00 0.00 175.35 175.06 1sjg s ALA 40 N -1.54 2.57 0.11 3.13 0.00 -1.24 -0.47 121.76 124.32 1sjg s ALA 40 Ca -0.02 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.85 1sjg s ALA 40 Cb -0.09 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1sjg s ALA 40 CO 0.02 0.56 -0.09 0.71 0.00 0.00 0.00 175.76 176.96 1sjg s TYR 41 N -0.84 1.08 0.36 0.00 2.02 0.10 -0.28 117.35 119.78 1sjg s TYR 41 Ca 0.13 -0.74 -0.28 0.00 -0.37 0.00 0.00 57.07 55.81 1sjg s TYR 41 Cb -0.10 -0.58 -0.11 0.00 -0.40 0.00 0.00 41.96 40.76 1sjg s TYR 41 CO 0.03 -0.01 1.48 0.00 -1.57 0.00 0.00 175.55 175.48 1sjg n GLN 42 N 0.23 2.60 0.00 -0.62 10.64 -0.30 0.09 117.38 130.01 1sjg n GLN 42 Ca -0.14 0.91 0.13 0.00 -1.83 0.00 0.00 57.00 56.08 1sjg n GLN 42 Cb 0.59 -2.63 0.43 0.00 -0.86 0.00 0.00 30.24 27.77 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 0.68 3.05 -3.04 2.61 0.00 -1.23 -4.49 120.51 118.10 1sjg n ALA 43 Ca 0.03 -0.31 -0.44 0.00 0.00 0.00 0.00 53.44 52.72 1sjg n ALA 43 Cb 0.38 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.73 3.08 0.64 0.00 -1.94 -1.26 -4.87 119.30 112.22 1sjg s MET 44 Ca 0.20 -1.20 -0.12 0.00 -1.71 0.00 0.00 55.69 52.86 1sjg s MET 44 Cb 0.19 -4.27 -0.02 0.00 2.01 0.00 0.00 34.83 32.74 1sjg s MET 44 CO 0.57 -1.63 1.04 0.00 -0.01 0.00 0.00 175.02 175.00 1sjg n PRO 46 N -2.74 1.55 -3.43 0.00 -0.04 -1.26 -3.91 135.00 125.16 1sjg n PRO 46 Ca 0.07 -0.46 -0.17 0.00 -0.04 0.00 0.00 63.50 62.90 1sjg n PRO 46 Cb 0.54 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 1sjg n PRO 46 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1sjg n HIS 47 N 0.10 0.62 -1.87 0.54 8.25 -1.26 -4.88 115.22 116.73 1sjg n HIS 47 Ca 0.04 -1.34 -0.40 0.00 -0.26 0.00 0.00 57.72 55.77 1sjg n HIS 47 Cb 0.41 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.32 1sjg n HIS 47 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1sjg s GLN 48 N -2.98 2.74 0.49 -0.41 -0.21 -1.26 -4.94 119.66 113.08 1sjg s GLN 48 Ca 0.00 1.17 -0.11 0.00 0.02 0.00 0.00 55.36 56.44 1sjg s GLN 48 Cb 0.00 -4.38 -0.06 0.00 1.00 0.00 0.00 33.01 29.57 1sjg s GLN 48 CO 0.00 -2.57 0.87 -1.83 -2.12 0.00 0.00 175.29 169.65 1sjg s GLU 49 N 6.90 3.74 0.00 2.91 -1.05 -1.26 -4.80 118.70 125.14 1sjg s GLU 49 Ca 0.81 0.59 0.00 0.00 -0.15 0.00 0.00 54.97 56.22 1sjg s GLU 49 Cb -0.18 -2.27 0.00 0.00 -0.44 0.00 0.00 34.13 31.24 1sjg s GLU 49 CO 0.27 -0.22 0.00 1.51 0.95 0.00 0.00 175.26 177.77 1sjg n ILE 50 N -1.81 0.00 -2.46 1.83 0.13 -1.26 -5.03 119.36 110.76 1sjg n ILE 50 Ca 0.04 0.00 -0.39 0.00 -1.10 0.00 0.00 62.75 61.30 1sjg n ILE 50 Cb 0.54 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 39.31 1sjg n ILE 50 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 1sjg s LEU 51 N 0.00 3.39 0.49 9.51 2.01 -1.26 -4.69 118.68 128.13 1sjg s LEU 51 Ca 0.00 -1.13 0.28 0.00 0.01 0.00 0.00 54.13 53.29 1sjg s LEU 51 Cb 0.00 -2.57 0.97 0.00 0.01 0.00 0.00 46.19 44.60 1sjg s LEU 51 CO 0.00 -1.78 1.84 -0.07 1.01 0.00 0.00 176.35 177.34 1sjg h LEU 52 N 13.77 0.00 -2.36 1.79 -0.00 -1.89 -2.86 115.31 123.75 1sjg h LEU 52 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1sjg h LEU 52 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.68 1sjg h LEU 52 CO 1.37 0.07 0.00 0.77 -0.00 0.00 0.00 178.44 180.64 1sjg h SER 53 N 0.00 0.00 -0.62 -0.43 4.64 -1.86 -1.09 113.55 114.19 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 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1sjg h SER 53 CO 0.01 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.35 1sjg n GLU 54 N -3.00 3.15 0.00 4.77 1.02 -1.08 -4.37 120.64 121.12 1sjg n GLU 54 Ca -0.02 -2.66 0.00 0.00 -0.02 0.00 0.00 57.16 54.46 1sjg n GLU 54 Cb 0.14 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 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 1.17 -0.25 3.16 0.62 0.00 -0.41 -5.04 105.19 104.44 1sjg n GLY 55 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 1sjg n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sjg s SER 56 N -1.51 0.05 -0.17 1.61 0.15 -0.35 -4.98 113.70 108.49 1sjg s SER 56 Ca 0.00 -0.36 -0.00 0.00 0.70 0.00 0.00 55.95 56.29 1sjg s SER 56 Cb 0.00 0.27 0.04 0.00 -1.71 0.00 0.00 66.02 64.62 1sjg s SER 56 CO 0.00 -0.52 -0.05 -0.47 1.20 0.00 0.00 173.24 173.39 1sjg s TYR 57 N -2.39 1.76 0.41 3.44 6.14 -1.26 -1.49 117.35 123.96 1sjg s TYR 57 Ca -0.06 -1.15 0.07 0.00 0.64 0.00 0.00 57.07 56.57 1sjg s TYR 57 Cb -0.02 -1.34 -0.07 0.00 0.42 0.00 0.00 41.96 40.95 1sjg s TYR 57 CO -0.03 -0.63 0.06 -1.21 0.64 0.00 0.00 175.55 174.38 1sjg s GLU 58 N 1.61 2.04 -0.76 4.97 2.02 0.87 -5.02 118.70 124.43 1sjg s GLU 58 Ca 0.00 -2.03 -0.25 0.00 0.02 0.00 0.00 54.97 52.72 1sjg s GLU 58 Cb -0.16 -1.75 -0.20 0.00 0.10 0.00 0.00 34.13 32.13 1sjg s GLU 58 CO -0.08 -0.07 1.88 0.41 0.02 0.00 0.00 175.26 177.43 1sjg n GLY 59 N -1.05 1.19 0.00 -1.39 0.00 -1.26 -2.29 105.19 100.39 1sjg n GLY 59 Ca -0.04 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 5.24 0.66 3.03 -0.02 0.00 -1.26 -5.05 105.19 107.79 1sjg n GLY 60 Ca 0.46 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.00 1.64 -0.07 1.61 1.01 -0.97 -1.33 120.40 120.29 1sjg s VAL 61 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1sjg s VAL 61 Cb 0.00 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1sjg s VAL 61 CO 0.00 0.43 -0.11 -0.63 0.00 0.00 0.00 175.10 174.79 1sjg s ILE 62 N 1.45 3.33 -0.23 2.22 -1.09 -1.22 -0.09 121.20 125.58 1sjg s ILE 62 Ca 0.04 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 57.85 1sjg s ILE 62 Cb -0.13 -2.34 0.03 0.00 -1.58 0.00 0.00 42.46 38.43 1sjg s ILE 62 CO -0.11 0.58 -0.12 -0.89 -1.23 0.00 0.00 174.94 173.17 1sjg s THR 63 N -0.57 2.41 0.00 2.92 2.01 -0.56 -3.64 115.64 118.22 1sjg s THR 63 Ca 0.08 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 60.94 1sjg s THR 63 Cb -0.12 -2.20 0.00 0.00 0.01 0.00 0.00 72.50 70.19 1sjg s THR 63 CO 0.02 0.27 0.00 0.00 -0.69 0.00 0.00 174.62 174.21 1sjg n ARG 65 N -1.64 0.00 -3.81 0.00 0.63 -1.26 -4.40 116.66 106.18 1sjg n ARG 65 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 1sjg n ARG 65 Cb 0.00 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 32.79 1sjg n ARG 65 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1sjg s ALA 66 N -1.85 -0.41 0.00 5.13 0.00 -1.26 -4.85 121.76 118.52 1sjg s ALA 66 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1sjg s ALA 66 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1sjg s ALA 66 CO 0.00 -0.09 0.00 -2.39 0.00 0.00 0.00 175.76 173.28 1sjg n HIS 67 N 3.07 0.00 0.00 0.00 1.44 -1.26 -4.81 115.22 113.66 1sjg n HIS 67 Ca -0.13 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.58 1sjg n HIS 67 Cb 0.58 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.69 1sjg n HIS 67 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1sjg n LEU 68 N 0.00 0.00 0.00 2.39 7.94 -1.26 -4.42 117.00 121.65 1sjg n LEU 68 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1sjg n LEU 68 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1sjg n LEU 68 CO 0.00 0.00 0.00 1.87 -1.11 0.00 0.00 177.39 178.15 1sjg n TRP 69 N 0.00 -0.38 -4.08 1.96 -0.00 -1.26 -5.13 117.44 108.54 1sjg n TRP 69 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.50 57.15 1sjg n TRP 69 Cb 0.00 0.08 -0.08 0.00 -0.00 0.00 0.00 31.31 31.30 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 -2.00 4.87 0.01 5.87 -4.23 -1.26 -4.33 115.64 114.57 1sjg s THR 70 Ca 0.00 -0.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.51 1sjg s THR 70 Cb 0.00 -3.13 -0.01 0.00 1.34 0.00 0.00 72.50 70.70 1sjg s THR 70 CO 0.00 0.56 -0.07 0.72 -0.54 0.00 0.00 174.62 175.29 1sjg s PHE 71 N -0.49 0.62 -0.20 3.99 -0.12 -1.24 -2.81 117.98 117.72 1sjg s PHE 71 Ca 0.10 -0.21 -0.23 0.00 -0.05 0.00 0.00 56.93 56.54 1sjg s PHE 71 Cb -0.12 -0.39 -0.02 0.00 -0.63 0.00 0.00 43.02 41.87 1sjg s PHE 71 CO 0.02 -0.02 0.73 1.21 -0.05 0.00 0.00 175.22 177.11 1sjg s ASN 72 N -0.54 6.80 0.23 1.98 2.47 -0.04 -3.43 114.94 122.41 1sjg s ASN 72 Ca -0.01 0.98 -0.05 0.00 0.42 0.00 0.00 52.86 54.20 1sjg s ASN 72 Cb -0.04 -2.40 0.22 0.00 -1.45 0.00 0.00 41.25 37.58 1sjg s ASN 72 CO 0.00 -0.36 1.72 -0.78 -3.72 0.00 0.00 177.10 173.97 1sjg h ASP 73 N 7.48 0.91 -0.09 -4.21 3.58 -1.52 0.35 116.42 122.91 1sjg h ASP 73 Ca -0.29 -0.22 -0.04 0.00 0.42 0.00 0.00 57.03 56.90 1sjg h ASP 73 Cb 1.13 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.92 1sjg h ASP 73 CO 0.81 0.94 0.05 0.61 -2.88 0.00 0.00 179.24 178.77 1sjg n GLY 74 N -0.60 2.06 2.02 -0.78 0.00 -1.26 -3.98 105.19 102.65 1sjg n GLY 74 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.23 0.00 0.00 2.61 -1.04 -1.09 -5.03 114.28 109.97 1sjg n THR 75 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1sjg n THR 75 Cb 0.53 -0.12 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 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 -0.80 2.76 3.78 3.41 0.00 0.12 -5.00 105.19 109.47 1sjg n GLY 76 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.61 3.85 0.33 1.61 5.65 -1.25 0.09 115.29 122.95 1sjg s HIS 77 Ca 0.00 1.50 -0.29 0.00 0.25 0.00 0.00 55.06 56.53 1sjg s HIS 77 Cb 0.00 -2.69 -0.10 0.00 -1.18 0.00 0.00 32.58 28.61 1sjg s HIS 77 CO 0.00 0.50 1.26 0.20 -0.65 0.00 0.00 174.74 176.05 1sjg s GLY 78 N -0.97 3.00 -0.14 1.59 0.00 0.23 -0.86 107.32 110.16 1sjg s GLY 78 Ca 0.34 1.17 -0.24 0.00 0.00 0.00 0.00 44.72 46.00 1sjg s GLY 78 CO 0.24 1.80 0.58 -2.22 0.00 0.00 0.00 173.10 173.50 1sjg h ILE 79 N 2.98 1.42 -2.25 0.90 2.04 -1.82 -3.35 117.51 117.42 1sjg h ILE 79 Ca -0.48 -2.11 -0.16 0.00 1.00 0.00 0.00 64.86 63.10 1sjg h ILE 79 Cb 1.22 2.72 -0.30 0.00 -0.74 0.00 0.00 36.82 39.73 1sjg h ILE 79 CO 0.65 0.48 -0.47 0.21 0.00 0.00 0.00 178.15 179.02 1sjg s ASN 80 N -6.18 0.25 0.96 1.72 3.84 -1.22 -4.19 114.94 110.13 1sjg s ASN 80 Ca -0.17 0.42 -0.15 0.00 0.21 0.00 0.00 52.86 53.17 1sjg s ASN 80 Cb -0.02 1.04 0.21 0.00 -0.55 0.00 0.00 41.25 41.93 1sjg s ASN 80 CO 0.57 -0.28 1.31 -2.84 -2.79 0.00 0.00 177.10 173.08 1sjg s PRO 81 N 2.52 0.55 -0.04 0.43 0.02 -1.26 -4.27 135.00 132.95 1sjg s PRO 81 Ca 0.07 -0.57 0.17 0.00 0.02 0.00 0.00 61.00 60.69 1sjg s PRO 81 Cb -0.14 -1.88 0.56 0.00 0.02 0.00 0.00 34.50 33.05 1sjg s PRO 81 CO -0.14 -2.44 1.45 -0.40 -0.33 0.00 0.00 177.00 175.15 1sjg n ASP 82 N -3.74 3.55 0.14 2.53 5.75 -1.26 -4.17 116.55 119.35 1sjg n ASP 82 Ca 0.16 -2.17 0.12 0.00 -0.01 0.00 0.00 54.79 52.89 1sjg n ASP 82 Cb 0.59 -0.45 0.51 0.00 -1.03 0.00 0.00 41.12 40.74 1sjg n ASP 82 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1sjg n ASP 83 N 1.08 0.64 -4.07 -1.12 2.03 -1.26 -4.64 116.55 109.21 1sjg n ASP 83 Ca 0.20 0.69 -0.12 0.00 0.52 0.00 0.00 54.79 56.09 1sjg n ASP 83 Cb 0.62 -0.81 -0.11 0.00 -0.72 0.00 0.00 41.12 40.09 1sjg n ASP 83 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sjg s LEU 86 N -0.70 4.08 -0.26 0.00 1.02 0.11 -3.61 118.68 119.32 1sjg s LEU 86 Ca -0.08 0.05 -0.22 0.00 0.02 0.00 0.00 54.13 53.90 1sjg s LEU 86 Cb -0.04 -2.68 -0.01 0.00 0.02 0.00 0.00 46.19 43.48 1sjg s LEU 86 CO 0.04 0.09 0.70 0.00 0.02 0.00 0.00 176.35 177.19 1sjg s ALA 87 N -1.67 3.61 -0.02 4.21 0.00 -1.26 -4.72 121.76 121.91 1sjg s ALA 87 Ca 0.33 -0.37 -0.29 0.00 0.00 0.00 0.00 51.96 51.63 1sjg s ALA 87 Cb -0.11 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1sjg s ALA 87 CO 0.26 -0.90 0.92 -1.83 0.00 0.00 0.00 175.76 174.21 1sjg s GLU 88 N 2.64 4.53 -0.10 0.00 -1.05 -1.26 -1.15 118.70 122.31 1sjg s GLU 88 Ca 0.29 1.30 -0.01 0.00 -0.15 0.00 0.00 54.97 56.39 1sjg s GLU 88 Cb -0.15 -3.46 -0.03 0.00 -0.44 0.00 0.00 34.13 30.05 1sjg s GLU 88 CO 0.09 -0.03 -0.04 0.71 0.95 0.00 0.00 175.26 176.94 1sjg s TYR 89 N 0.97 3.02 0.01 4.83 2.02 0.61 -4.97 117.35 123.84 1sjg s TYR 89 Ca 0.49 -0.06 -0.30 0.00 -0.37 0.00 0.00 57.07 56.83 1sjg s TYR 89 Cb -0.20 -1.82 -0.06 0.00 -0.40 0.00 0.00 41.96 39.47 1sjg s TYR 89 CO 0.26 0.23 1.51 -1.25 -1.57 0.00 0.00 175.55 174.73 1sjg s PRO 90 N -0.39 4.24 -0.10 -1.71 0.04 -1.26 -3.67 135.00 132.15 1sjg s PRO 90 Ca 0.06 2.11 -0.02 0.00 0.04 0.00 0.00 61.00 63.19 1sjg s PRO 90 Cb -0.12 -3.64 -0.03 0.00 0.04 0.00 0.00 34.50 30.74 1sjg s PRO 90 CO 0.02 -0.67 0.00 0.08 0.04 0.00 0.00 177.00 176.48 1sjg s VAL 91 N 2.73 4.31 -0.06 -0.36 1.01 -1.26 -1.16 120.40 125.61 1sjg s VAL 91 Ca 0.68 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.48 1sjg s VAL 91 Cb -0.34 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1sjg s VAL 91 CO 0.28 0.59 -0.24 -0.70 0.00 0.00 0.00 175.10 175.03 1sjg s GLU 92 N -0.71 2.53 -0.23 2.72 -6.30 0.71 -4.98 118.70 112.44 1sjg s GLU 92 Ca 0.11 -0.89 -0.07 0.00 -2.50 0.00 0.00 54.97 51.62 1sjg s GLU 92 Cb -0.12 -2.17 -0.03 0.00 0.00 0.00 0.00 34.13 31.81 1sjg s GLU 92 CO 0.02 0.40 0.06 0.08 0.02 0.00 0.00 175.26 175.84 1sjg s VAL 93 N -0.22 4.32 0.04 3.70 1.01 -1.26 -1.97 120.40 126.02 1sjg s VAL 93 Ca -0.02 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1sjg s VAL 93 Cb -0.13 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1sjg s VAL 93 CO 0.03 0.37 -0.07 -0.54 0.00 0.00 0.00 175.10 174.89 1sjg s LYS 94 N 1.30 2.43 0.42 2.72 3.01 0.39 -5.01 119.74 124.98 1sjg s LYS 94 Ca 0.05 -0.82 0.21 0.00 -1.01 0.00 0.00 55.97 54.40 1sjg s LYS 94 Cb -0.15 -2.45 1.17 0.00 -1.01 0.00 0.00 37.83 35.40 1sjg s LYS 94 CO 0.03 0.57 1.77 0.78 0.51 0.00 0.00 175.35 179.01 1sjg h GLY 95 N 4.17 1.07 0.00 -3.33 0.00 -2.03 -2.61 103.07 100.33 1sjg h GLY 95 Ca -0.48 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 1sjg h GLY 95 CO 0.54 -0.13 -1.35 1.34 0.00 0.00 0.00 176.54 176.94 1sjg n ASP 96 N -4.58 3.42 -4.51 0.19 2.03 -1.26 -4.75 116.55 107.10 1sjg n ASP 96 Ca 0.26 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.26 1sjg n ASP 96 Cb 0.93 1.14 -0.11 0.00 -0.72 0.00 0.00 41.12 42.36 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 -3.06 4.05 -0.18 1.67 1.01 -0.99 -1.07 116.67 118.10 1sjg s ASP 97 Ca -0.03 -0.43 0.01 0.00 0.71 0.00 0.00 52.55 52.82 1sjg s ASP 97 Cb 0.04 -0.69 0.03 0.00 1.01 0.00 0.00 42.92 43.30 1sjg s ASP 97 CO 0.28 0.22 -0.16 -0.63 0.21 0.00 0.00 175.17 175.08 1sjg s ILE 98 N -1.07 1.89 0.01 0.77 1.01 0.33 -0.47 121.20 123.68 1sjg s ILE 98 Ca 0.17 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.92 1sjg s ILE 98 Cb -0.11 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 1sjg s ILE 98 CO 0.09 0.41 -0.10 -0.31 0.00 0.00 0.00 174.94 175.03 1sjg s TYR 99 N 1.33 2.81 0.00 3.97 1.51 -0.83 -1.70 117.35 124.44 1sjg s TYR 99 Ca 0.03 -0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 1sjg s TYR 99 Cb -0.14 -1.58 -0.00 0.00 -0.11 0.00 0.00 41.96 40.12 1sjg s TYR 99 CO -0.11 0.34 -0.03 0.54 -1.11 0.00 0.00 175.55 175.17 1sjg s VAL 100 N -0.96 0.24 -0.19 0.71 0.11 -0.46 -0.20 120.40 119.64 1sjg s VAL 100 Ca 0.16 -0.24 -0.07 0.00 -2.93 0.00 0.00 61.98 58.90 1sjg s VAL 100 Cb -0.11 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1sjg s VAL 100 CO 0.07 -0.00 0.06 -0.55 -3.33 0.00 0.00 175.10 171.35 1sjg s SER 101 N -0.26 5.54 0.00 3.54 0.15 -0.31 0.29 113.70 122.65 1sjg s SER 101 Ca -0.01 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1sjg s SER 101 Cb -0.02 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 1sjg s SER 101 CO -0.00 0.14 0.76 0.35 1.20 0.00 0.00 173.24 175.69 1sjg n THR 102 N 3.78 0.54 -2.40 6.45 -2.24 -1.26 -4.01 114.28 115.14 1sjg n THR 102 Ca -0.16 -0.76 -0.43 0.00 -2.27 0.00 0.00 64.05 60.43 1sjg n THR 102 Cb 0.52 0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.54 4.12 -0.40 -0.78 2.36 -1.26 -2.91 119.74 120.33 1sjg s LYS 103 Ca 0.00 1.56 0.00 0.00 -2.55 0.00 0.00 55.97 54.98 1sjg s LYS 103 Cb 0.00 -3.81 0.00 0.00 -1.05 0.00 0.00 37.83 32.97 1sjg s LYS 103 CO 0.00 -0.85 0.00 0.41 1.55 0.00 0.00 175.35 176.46 1sjg n GLY 104 N 3.87 0.66 3.39 5.54 0.00 -1.26 -4.97 105.19 112.42 1sjg n GLY 104 Ca 0.14 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.02 3.97 0.18 -0.61 1.01 -1.15 -5.08 121.20 117.50 1sjg s ILE 105 Ca 0.00 -0.33 -0.21 0.00 0.00 0.00 0.00 60.65 60.11 1sjg s ILE 105 Cb 0.00 -2.86 -0.08 0.00 0.01 0.00 0.00 42.46 39.53 1sjg s ILE 105 CO 0.00 0.34 0.71 -0.76 0.00 0.00 0.00 174.94 175.23 1sjg s LEU 106 N 1.56 4.44 0.60 2.97 1.02 -1.26 -5.02 118.68 122.99 1sjg s LEU 106 Ca 0.06 1.45 -0.19 0.00 0.02 0.00 0.00 54.13 55.47 1sjg s LEU 106 Cb -0.15 -3.40 -0.03 0.00 0.02 0.00 0.00 46.19 42.63 1sjg s LEU 106 CO 0.01 0.12 1.22 -2.16 0.02 0.00 0.00 176.35 175.56 1sjg s PRO 107 N -1.63 2.89 0.95 1.29 0.04 -1.26 -4.95 135.00 132.33 1sjg s PRO 107 Ca 0.39 1.87 -0.15 0.00 0.04 0.00 0.00 61.00 63.15 1sjg s PRO 107 Cb -0.19 -1.91 0.22 0.00 0.04 0.00 0.00 34.50 32.65 1sjg s PRO 107 CO 0.22 -1.28 1.29 -1.71 0.04 0.00 0.00 177.00 175.56 1sjg n ASN 108 N -1.66 0.24 -4.56 6.66 2.85 -1.26 -4.85 115.26 112.68 1sjg n ASN 108 Ca 0.14 -1.55 -0.24 0.00 -0.11 0.00 0.00 54.58 52.81 1sjg n ASN 108 Cb 0.49 -0.97 -0.05 0.00 1.24 0.00 0.00 39.78 40.49 1sjg n ASN 108 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1sjg s LYS 109 N -5.81 1.97 0.00 1.20 2.20 -1.24 -4.36 119.74 113.70 1sjg s LYS 109 Ca 0.74 0.66 0.00 0.00 -0.36 0.00 0.00 55.97 57.01 1sjg s LYS 109 Cb -0.02 -4.73 0.00 0.00 -1.51 0.00 0.00 37.83 31.57 1sjg s LYS 109 CO 0.52 -3.80 0.00 0.00 -0.36 0.00 0.00 175.35 171.71 1sjg n ALA 110 N 16.67 0.00 -2.96 3.13 0.00 -1.25 -0.50 120.51 135.60 1sjg n ALA 110 Ca 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.80 1sjg n ALA 110 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 2.37 -2.51 0.52 0.00 -0.00 -0.53 -4.78 115.22 110.29 1sjg n HIS 111 Ca 0.00 1.09 0.06 0.00 -0.00 0.00 0.00 57.72 58.87 1sjg n HIS 111 Cb 0.00 -2.84 0.05 0.00 -0.00 0.00 0.00 29.99 27.21 1sjg n HIS 111 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21