#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 6.40 -0.18 7.83 1.04 -1.26 -4.99 113.70 122.55 1sjg s SER 2 Ca 0.00 0.15 -0.19 0.00 0.48 0.00 0.00 55.95 56.39 1sjg s SER 2 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 1sjg s SER 2 CO 0.00 -1.52 0.55 -0.36 0.98 0.00 0.00 173.24 172.89 1sjg s PHE 3 N 5.13 3.41 0.02 5.02 0.08 -1.26 -4.35 117.98 126.04 1sjg s PHE 3 Ca 0.45 0.86 0.05 0.00 0.12 0.00 0.00 56.93 58.41 1sjg s PHE 3 Cb -0.08 -2.69 -0.03 0.00 -0.57 0.00 0.00 43.02 39.65 1sjg s PHE 3 CO 0.25 -0.06 -0.10 -2.00 -0.10 0.00 0.00 175.22 173.21 1sjg s GLU 4 N 1.46 2.37 -0.10 0.44 2.56 0.69 -4.76 118.70 121.35 1sjg s GLU 4 Ca 0.26 -0.83 -0.23 0.00 0.00 0.00 0.00 54.97 54.18 1sjg s GLU 4 Cb -0.16 -2.39 -0.03 0.00 2.00 0.00 0.00 34.13 33.56 1sjg s GLU 4 CO 0.10 0.57 0.69 0.21 -0.56 0.00 0.00 175.26 176.28 1sjg s LYS 5 N -1.49 4.38 -0.07 4.30 2.20 -1.26 -0.03 119.74 127.76 1sjg s LYS 5 Ca 0.17 0.83 -0.01 0.00 -0.36 0.00 0.00 55.97 56.59 1sjg s LYS 5 Cb -0.11 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1sjg s LYS 5 CO 0.07 -0.03 -0.07 1.51 -0.36 0.00 0.00 175.35 176.47 1sjg n ILE 6 N 4.05 0.37 -4.10 5.43 0.13 -0.83 -4.98 119.36 119.42 1sjg n ILE 6 Ca -0.01 -0.12 -0.07 0.00 -1.10 0.00 0.00 62.75 61.45 1sjg n ILE 6 Cb 0.51 -1.16 -0.03 0.00 -0.84 0.00 0.00 39.64 38.12 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 -1.83 1.84 0.45 0.00 0.01 -1.26 -1.18 113.70 111.73 1sjg s SER 8 Ca 0.14 -0.63 0.25 0.00 1.31 0.00 0.00 55.95 57.02 1sjg s SER 8 Cb 0.01 -0.07 0.89 0.00 0.21 0.00 0.00 66.02 67.06 1sjg s SER 8 CO 0.10 -0.05 1.81 0.25 0.41 0.00 0.00 173.24 175.75 1sjg h LEU 9 N 4.23 0.00 -1.73 2.44 6.46 -0.39 0.34 115.31 126.65 1sjg h LEU 9 Ca -0.42 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.33 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 0.40 0.18 -0.07 -0.78 -0.62 0.00 0.00 178.44 177.56 1sjg h ASP 10 N 0.00 0.00 0.00 1.25 3.58 -1.88 -3.18 116.42 116.19 1sjg h ASP 10 Ca -0.00 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.13 1sjg h ASP 10 Cb 0.77 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.77 1sjg h ASP 10 CO 0.02 0.07 -1.74 -0.67 -2.88 0.00 0.00 179.24 174.04 1sjg n ASP 11 N -3.26 1.90 -4.31 2.28 -0.08 -0.41 -4.83 116.55 107.84 1sjg n ASP 11 Ca -0.01 0.39 -0.36 0.00 -1.51 0.00 0.00 54.79 53.31 1sjg n ASP 11 Cb 0.28 -0.91 -0.13 0.00 2.34 0.00 0.00 41.12 42.69 1sjg n ASP 11 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1sjg s ILE 12 N -2.42 3.56 0.59 5.18 -4.36 -0.03 -5.02 121.20 118.71 1sjg s ILE 12 Ca -0.33 -0.67 -0.02 0.00 -0.26 0.00 0.00 60.65 59.38 1sjg s ILE 12 Cb 0.09 -2.75 0.04 0.00 1.25 0.00 0.00 42.46 41.09 1sjg s ILE 12 CO 0.55 0.23 0.85 0.26 0.24 0.00 0.00 174.94 177.08 1sjg s TRP 13 N 1.46 2.93 -0.06 1.37 0.52 -1.24 -4.38 118.94 119.54 1sjg s TRP 13 Ca 0.03 0.19 -0.31 0.00 0.02 0.00 0.00 56.10 56.03 1sjg s TRP 13 Cb -0.16 -2.86 -0.09 0.00 -1.15 0.00 0.00 33.47 29.21 1sjg s TRP 13 CO -0.01 -1.00 2.01 1.55 0.02 0.00 0.00 176.95 179.52 1sjg n VAL 14 N -2.52 0.62 -0.02 4.03 3.14 -1.26 0.15 118.33 122.47 1sjg n VAL 14 Ca 0.07 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1sjg n VAL 14 Cb 0.60 -2.21 0.00 0.00 -1.06 0.00 0.00 33.84 31.16 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 4.82 0.34 3.79 7.55 0.00 0.46 -5.01 105.19 117.15 1sjg n GLY 15 Ca 0.23 0.00 -0.36 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 -0.91 3.23 0.06 1.61 8.01 0.12 -4.93 118.70 125.89 1sjg s GLU 16 Ca 0.00 -0.27 -0.15 0.00 0.01 0.00 0.00 54.97 54.56 1sjg s GLU 16 Cb 0.00 -3.00 0.02 0.00 -4.31 0.00 0.00 34.13 26.84 1sjg s GLU 16 CO 0.00 0.74 0.33 0.00 0.01 0.00 0.00 175.26 176.34 1sjg s MET 17 N -1.03 0.88 0.08 1.61 0.23 -1.26 -1.83 119.30 117.99 1sjg s MET 17 Ca 0.15 -0.56 -0.23 0.00 -1.03 0.00 0.00 55.69 54.03 1sjg s MET 17 Cb -0.12 0.38 0.06 0.00 -1.53 0.00 0.00 34.83 33.62 1sjg s MET 17 CO 0.04 -0.30 0.55 -2.00 -2.03 0.00 0.00 175.02 171.28 1sjg s GLU 18 N -2.89 1.12 0.03 3.16 2.56 -0.79 -4.63 118.70 117.25 1sjg s GLU 18 Ca -0.03 -0.32 -0.20 0.00 0.00 0.00 0.00 54.97 54.42 1sjg s GLU 18 Cb 0.00 0.51 -0.06 0.00 2.00 0.00 0.00 34.13 36.58 1sjg s GLU 18 CO -0.05 -0.43 0.59 -0.08 -0.56 0.00 0.00 175.26 174.72 1sjg s THR 19 N -2.90 4.83 0.23 -1.70 -1.32 -1.26 -0.31 115.64 113.20 1sjg s THR 19 Ca -0.03 1.25 0.12 0.00 -1.21 0.00 0.00 61.69 61.82 1sjg s THR 19 Cb -0.00 -3.92 -0.05 0.00 -1.51 0.00 0.00 72.50 67.02 1sjg s THR 19 CO -0.05 0.47 -0.22 0.72 -2.21 0.00 0.00 174.62 173.33 1sjg s PHE 20 N -0.58 2.30 -0.16 9.09 -0.12 0.15 -4.88 117.98 123.78 1sjg s PHE 20 Ca 0.30 -0.35 -0.08 0.00 -0.05 0.00 0.00 56.93 56.76 1sjg s PHE 20 Cb -0.19 -1.08 -0.04 0.00 -0.63 0.00 0.00 43.02 41.07 1sjg s PHE 20 CO 0.18 0.58 0.13 -2.00 -0.05 0.00 0.00 175.22 174.06 1sjg s GLU 21 N -2.99 3.77 0.78 1.99 2.12 -1.26 -0.38 118.70 122.74 1sjg s GLU 21 Ca 0.24 -0.18 -0.10 0.00 0.36 0.00 0.00 54.97 55.29 1sjg s GLU 21 Cb -0.07 -3.28 0.09 0.00 0.26 0.00 0.00 34.13 31.13 1sjg s GLU 21 CO 0.12 0.55 1.13 0.95 -0.54 0.00 0.00 175.26 177.47 1sjg s THR 22 N -0.37 2.11 -0.49 -1.70 -4.23 0.77 -4.91 115.64 106.82 1sjg s THR 22 Ca 0.11 -0.13 0.25 0.00 -1.18 0.00 0.00 61.69 60.75 1sjg s THR 22 Cb -0.12 -2.98 0.28 0.00 1.34 0.00 0.00 72.50 71.02 1sjg s THR 22 CO 0.01 0.00 1.76 0.28 -0.54 0.00 0.00 174.62 176.13 1sjg h SER 23 N -0.93 0.00 0.97 3.99 0.02 -1.98 -2.15 113.55 113.47 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 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1sjg h SER 23 CO 0.59 0.00 -0.29 -0.67 -1.14 0.00 0.00 176.83 175.33 1sjg n ASP 24 N -2.38 0.51 0.00 3.07 2.03 -1.26 -4.93 116.55 113.60 1sjg n ASP 24 Ca 0.03 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.59 1sjg n ASP 24 Cb 0.31 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 1.41 0.98 3.83 0.27 0.00 -0.81 -5.09 105.19 105.78 1sjg n GLY 25 Ca 0.05 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 5.31 -0.14 2.61 2.01 -1.26 -4.80 115.64 117.36 1sjg s THR 26 Ca 0.00 0.48 -0.21 0.00 0.31 0.00 0.00 61.69 62.27 1sjg s THR 26 Cb 0.00 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 1sjg s THR 26 CO 0.00 0.55 0.62 -1.61 -0.69 0.00 0.00 174.62 173.49 1sjg s GLU 27 N -0.66 4.30 -0.02 4.92 0.41 -1.26 -0.16 118.70 126.23 1sjg s GLU 27 Ca 0.18 0.67 0.03 0.00 -0.41 0.00 0.00 54.97 55.44 1sjg s GLU 27 Cb -0.14 -3.51 -0.00 0.00 -1.78 0.00 0.00 34.13 28.70 1sjg s GLU 27 CO 0.07 -0.08 -0.12 0.08 -0.49 0.00 0.00 175.26 174.72 1sjg s VAL 28 N 1.36 0.99 -0.36 2.63 1.01 0.49 -1.63 120.40 124.90 1sjg s VAL 28 Ca 0.31 -0.51 -0.23 0.00 0.00 0.00 0.00 61.98 61.55 1sjg s VAL 28 Cb -0.16 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1sjg s VAL 28 CO 0.12 0.29 0.79 -0.22 0.00 0.00 0.00 175.10 176.08 1sjg s LEU 29 N -0.06 4.12 -0.38 3.92 2.96 0.20 0.31 118.68 129.75 1sjg s LEU 29 Ca 0.01 0.39 -0.16 0.00 -0.22 0.00 0.00 54.13 54.15 1sjg s LEU 29 Cb -0.07 -3.03 0.00 0.00 0.50 0.00 0.00 46.19 43.59 1sjg s LEU 29 CO 0.00 -0.72 0.37 -0.51 -1.32 0.00 0.00 176.35 174.17 1sjg s ILE 30 N 3.09 5.17 -0.15 6.68 1.10 0.57 -1.65 121.20 136.02 1sjg s ILE 30 Ca 0.31 -0.22 -0.01 0.00 -0.51 0.00 0.00 60.65 60.22 1sjg s ILE 30 Cb -0.13 -3.90 -0.01 0.00 0.15 0.00 0.00 42.46 38.56 1sjg s ILE 30 CO 0.16 -0.23 -0.12 0.54 -2.11 0.00 0.00 174.94 173.18 1sjg s VAL 31 N 1.98 3.04 -0.52 4.00 0.11 0.81 -1.89 120.40 127.92 1sjg s VAL 31 Ca 0.10 -0.65 -0.18 0.00 -2.93 0.00 0.00 61.98 58.31 1sjg s VAL 31 Cb -0.17 -2.29 0.07 0.00 -1.53 0.00 0.00 36.38 32.46 1sjg s VAL 31 CO 0.12 0.51 0.60 0.21 -3.33 0.00 0.00 175.10 173.21 1sjg s ASN 32 N 0.57 6.20 0.08 3.54 3.84 -0.76 -0.19 114.94 128.23 1sjg s ASN 32 Ca -0.08 -1.11 0.02 0.00 0.21 0.00 0.00 52.86 51.90 1sjg s ASN 32 Cb -0.16 -2.27 -0.04 0.00 -0.55 0.00 0.00 41.25 38.23 1sjg s ASN 32 CO 0.03 -0.90 0.15 -0.44 -2.79 0.00 0.00 177.10 173.16 1sjg s SER 33 N 2.90 5.94 -0.10 -4.21 0.01 0.04 -0.40 113.70 117.88 1sjg s SER 33 Ca 0.12 0.11 -0.27 0.00 1.31 0.00 0.00 55.95 57.22 1sjg s SER 33 Cb -0.21 -1.71 -0.24 0.00 0.21 0.00 0.00 66.02 64.07 1sjg s SER 33 CO 0.10 0.15 0.92 -0.08 0.41 0.00 0.00 173.24 174.74 1sjg h GLU 34 N 3.04 -0.01 0.08 12.44 4.81 -1.88 -2.03 114.58 131.04 1sjg h GLU 34 Ca -0.46 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.66 1sjg h GLU 34 Cb 1.17 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.56 1sjg h GLU 34 CO 0.70 0.80 -0.48 1.49 -0.73 0.00 0.00 179.01 180.79 1sjg h GLU 35 N -0.83 0.19 0.00 1.92 4.22 -1.96 -3.32 114.58 114.80 1sjg h GLU 35 Ca -0.00 -0.31 -0.02 0.00 0.08 0.00 0.00 59.36 59.11 1sjg h GLU 35 Cb 0.81 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1sjg h GLU 35 CO 0.00 1.13 -0.11 0.45 -2.18 0.00 0.00 179.01 178.30 1sjg h HIS 36 N -0.60 0.00 0.00 0.92 3.86 -1.94 -3.49 115.15 113.89 1sjg h HIS 36 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1sjg h HIS 36 Cb 1.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.84 1sjg h HIS 36 CO 0.23 0.11 0.00 0.41 0.86 0.00 0.00 177.93 179.54 1sjg n GLY 37 N 1.03 -1.99 3.65 2.45 0.00 -0.76 -4.70 105.19 104.87 1sjg n GLY 37 Ca 0.03 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 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 4.73 0.12 1.61 1.01 -1.26 -0.78 120.40 125.82 1sjg s VAL 38 Ca 0.00 1.89 0.10 0.00 0.00 0.00 0.00 61.98 63.97 1sjg s VAL 38 Cb 0.00 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1sjg s VAL 38 CO 0.00 -0.15 -0.24 -0.54 0.00 0.00 0.00 175.10 174.18 1sjg s LYS 39 N 3.09 1.58 -0.21 2.72 -0.14 0.74 -4.58 119.74 122.94 1sjg s LYS 39 Ca 0.41 -1.26 0.01 0.00 -1.36 0.00 0.00 55.97 53.77 1sjg s LYS 39 Cb -0.15 -1.99 0.05 0.00 -1.68 0.00 0.00 37.83 34.06 1sjg s LYS 39 CO 0.06 0.47 -0.08 0.00 -0.76 0.00 0.00 175.35 175.04 1sjg s ALA 40 N -1.06 1.98 0.21 5.17 0.00 -1.26 -0.13 121.76 126.67 1sjg s ALA 40 Ca 0.15 -1.27 0.08 0.00 0.00 0.00 0.00 51.96 50.93 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 -0.98 -0.15 0.71 0.00 0.00 0.00 175.76 175.41 1sjg s TYR 41 N 1.40 1.80 0.29 0.00 1.51 -0.66 -2.06 117.35 119.63 1sjg s TYR 41 Ca -0.03 -0.53 -0.29 0.00 -1.01 0.00 0.00 57.07 55.20 1sjg s TYR 41 Cb -0.17 -0.82 -0.13 0.00 -0.11 0.00 0.00 41.96 40.72 1sjg s TYR 41 CO -0.07 0.41 1.25 0.94 -1.11 0.00 0.00 175.55 176.97 1sjg n GLN 42 N -0.39 1.88 0.05 -0.62 7.27 -1.11 0.61 117.38 125.07 1sjg n GLN 42 Ca -0.08 0.66 0.13 0.00 0.07 0.00 0.00 57.00 57.79 1sjg n GLN 42 Cb 0.60 -2.21 0.51 0.00 2.41 0.00 0.00 30.24 31.55 1sjg n GLN 42 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sjg n ALA 43 N 0.78 2.30 -3.16 1.69 0.00 -0.64 -4.38 120.51 117.10 1sjg n ALA 43 Ca 0.08 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 1sjg n ALA 43 Cb 0.33 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.27 1sjg n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sjg s MET 44 N -3.05 1.40 0.57 0.00 0.23 -1.26 -4.67 119.30 112.53 1sjg s MET 44 Ca 0.12 -1.07 -0.03 0.00 -1.03 0.00 0.00 55.69 53.68 1sjg s MET 44 Cb 0.16 0.48 0.02 0.00 -1.53 0.00 0.00 34.83 33.95 1sjg s MET 44 CO 0.56 -0.58 0.85 0.00 -2.03 0.00 0.00 175.02 173.82 1sjg n PRO 46 N -2.50 1.14 0.00 0.00 -0.04 -1.26 -4.43 135.00 127.91 1sjg n PRO 46 Ca 0.05 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 1sjg n PRO 46 Cb 0.58 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 0.46 0.00 -2.63 0.54 8.25 -1.26 -5.08 115.22 115.50 1sjg n HIS 47 Ca 0.06 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.35 1sjg n HIS 47 Cb 0.61 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.81 1sjg n HIS 47 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1sjg n GLN 48 N -1.70 0.17 -1.52 -0.41 1.13 -1.26 -5.09 117.38 108.71 1sjg n GLN 48 Ca 0.00 -2.20 -0.30 0.00 -1.94 0.00 0.00 57.00 52.56 1sjg n GLN 48 Cb 0.00 -0.46 0.08 0.00 0.11 0.00 0.00 30.24 29.98 1sjg n GLN 48 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1sjg s GLU 49 N -4.43 2.26 -1.04 -1.09 2.12 -1.26 -4.76 118.70 110.50 1sjg s GLU 49 Ca 0.51 0.77 -0.23 0.00 0.36 0.00 0.00 54.97 56.38 1sjg s GLU 49 Cb -0.03 -1.93 -0.00 0.00 0.26 0.00 0.00 34.13 32.43 1sjg s GLU 49 CO 0.34 -1.53 1.73 0.42 -0.54 0.00 0.00 175.26 175.68 1sjg s ILE 50 N -3.10 3.73 -1.94 -3.70 1.01 -1.26 -4.57 121.20 111.37 1sjg s ILE 50 Ca 0.60 -0.80 0.16 0.00 0.00 0.00 0.00 60.65 60.61 1sjg s ILE 50 Cb -0.15 -4.64 0.18 0.00 0.01 0.00 0.00 42.46 37.86 1sjg s ILE 50 CO 0.55 -1.47 1.07 0.18 0.00 0.00 0.00 174.94 175.27 1sjg n LEU 51 N 11.39 2.51 0.03 2.97 4.77 -1.26 -4.51 117.00 132.91 1sjg n LEU 51 Ca 0.39 -1.15 -0.19 0.00 -0.03 0.00 0.00 56.01 55.03 1sjg n LEU 51 Cb 0.48 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.41 1sjg n LEU 51 CO 0.66 0.48 0.12 0.25 -1.33 0.00 0.00 177.39 177.57 1sjg h LEU 52 N 3.17 0.76 0.00 2.23 6.46 -1.81 -3.27 115.31 122.85 1sjg h LEU 52 Ca 0.00 -0.76 0.00 0.00 -0.12 0.00 0.00 57.88 57.00 1sjg h LEU 52 Cb 0.70 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.40 1sjg h LEU 52 CO 0.00 1.43 0.00 -1.54 -0.62 0.00 0.00 178.44 177.71 1sjg n SER 53 N -3.99 0.00 -0.04 1.25 3.41 -1.26 -1.50 113.62 111.49 1sjg n SER 53 Ca -0.11 0.27 0.12 0.00 -0.26 0.00 0.00 58.87 58.89 1sjg n SER 53 Cb 0.82 -0.37 0.29 0.00 -0.26 0.00 0.00 64.21 64.69 1sjg n SER 53 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sjg n GLU 54 N -1.37 0.13 0.00 4.33 1.02 -1.23 -4.13 120.64 119.39 1sjg n GLU 54 Ca 0.04 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1sjg n GLU 54 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 1.47 3.39 0.00 0.62 0.00 -0.56 -5.06 105.19 105.05 1sjg n GLY 55 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 0.00 -4.59 1.61 7.64 -1.23 -4.84 113.62 112.21 1sjg n SER 56 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1sjg n SER 56 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 -0.47 3.16 -0.34 1.43 5.04 -1.26 -1.08 117.35 123.84 1sjg s TYR 57 Ca 0.00 0.53 -0.00 0.00 -2.44 0.00 0.00 57.07 55.16 1sjg s TYR 57 Cb 0.00 -3.20 0.08 0.00 0.35 0.00 0.00 41.96 39.19 1sjg s TYR 57 CO 0.00 -0.62 0.06 -1.21 -1.34 0.00 0.00 175.55 172.44 1sjg s GLU 58 N 2.84 2.05 0.00 4.97 2.02 0.54 -4.92 118.70 126.20 1sjg s GLU 58 Ca 0.28 -1.59 0.00 0.00 0.02 0.00 0.00 54.97 53.67 1sjg s GLU 58 Cb -0.14 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.81 1sjg s GLU 58 CO 0.14 -0.83 0.00 0.41 0.02 0.00 0.00 175.26 175.00 1sjg n GLY 59 N 4.50 1.00 0.37 -1.39 0.00 -1.26 -1.57 105.19 106.84 1sjg n GLY 59 Ca -0.06 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.24 3.17 -0.02 0.00 -1.26 -4.83 105.19 102.49 1sjg n GLY 60 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 1.73 -0.19 1.61 1.01 -0.61 -4.93 120.40 119.02 1sjg s VAL 61 Ca 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 1sjg s VAL 61 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1sjg s VAL 61 CO 0.00 0.49 0.22 -0.63 0.00 0.00 0.00 175.10 175.17 1sjg s ILE 62 N 0.26 5.35 0.11 2.22 1.09 -1.14 -0.34 121.20 128.76 1sjg s ILE 62 Ca -0.12 0.37 0.04 0.00 -1.10 0.00 0.00 60.65 59.84 1sjg s ILE 62 Cb -0.15 -3.56 -0.04 0.00 -1.06 0.00 0.00 42.46 37.65 1sjg s ILE 62 CO 0.06 0.40 0.07 -0.89 -0.10 0.00 0.00 174.94 174.47 1sjg s THR 63 N 0.54 4.33 0.08 2.92 2.01 -0.24 -0.68 115.64 124.60 1sjg s THR 63 Ca 0.12 -0.96 -0.14 0.00 0.31 0.00 0.00 61.69 61.02 1sjg s THR 63 Cb -0.12 -3.13 -0.21 0.00 0.01 0.00 0.00 72.50 69.05 1sjg s THR 63 CO 0.02 0.04 1.22 0.00 -0.69 0.00 0.00 174.62 175.20 1sjg n ARG 65 N -3.91 0.00 -0.01 0.00 0.00 -1.26 -3.71 116.66 107.78 1sjg n ARG 65 Ca -0.10 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.79 1sjg n ARG 65 Cb 0.83 -1.30 -0.13 0.00 0.00 0.00 0.00 32.46 31.86 1sjg n ARG 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1sjg n ALA 66 N 0.17 2.29 -3.01 5.13 0.00 -1.26 -4.98 120.51 118.85 1sjg n ALA 66 Ca 0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 53.44 52.66 1sjg n ALA 66 Cb 0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 18.65 1sjg n ALA 66 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1sjg s HIS 67 N -3.14 -0.00 0.00 0.00 3.76 -1.26 -5.00 115.29 109.64 1sjg s HIS 67 Ca -0.06 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 1sjg s HIS 67 Cb 0.10 -0.00 0.00 0.00 1.11 0.00 0.00 32.58 33.79 1sjg s HIS 67 CO 0.85 -0.39 0.00 -0.11 -0.85 0.00 0.00 174.74 174.25 1sjg n LEU 68 N 1.01 0.00 0.03 0.89 -0.00 -1.26 -4.11 117.00 113.56 1sjg n LEU 68 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 1sjg n LEU 68 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 1sjg n LEU 68 CO 0.22 0.00 0.00 0.79 -0.00 0.00 0.00 177.39 178.40 1sjg n TRP 69 N 0.00 -2.36 -4.31 1.96 7.02 -1.26 -4.82 117.44 113.67 1sjg n TRP 69 Ca 0.00 0.19 -0.34 0.00 -1.02 0.00 0.00 57.50 56.33 1sjg n TRP 69 Cb 0.00 0.83 -0.11 0.00 -2.42 0.00 0.00 31.31 29.61 1sjg n TRP 69 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1sjg s THR 70 N -2.00 4.12 -0.02 -0.99 -4.23 -1.26 -3.54 115.64 107.72 1sjg s THR 70 Ca 0.00 -0.28 0.02 0.00 -1.18 0.00 0.00 61.69 60.25 1sjg s THR 70 Cb 0.00 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 71.03 1sjg s THR 70 CO 0.00 0.49 -0.07 0.12 -0.54 0.00 0.00 174.62 174.62 1sjg s PHE 71 N 0.27 0.71 -0.20 3.99 5.36 0.14 -2.16 117.98 126.09 1sjg s PHE 71 Ca -0.01 -0.15 0.01 0.00 -0.96 0.00 0.00 56.93 55.82 1sjg s PHE 71 Cb -0.14 -0.50 0.04 0.00 -0.34 0.00 0.00 43.02 42.09 1sjg s PHE 71 CO 0.02 -0.06 -0.12 1.21 -1.46 0.00 0.00 175.22 174.82 1sjg s ASN 72 N 0.08 3.50 0.41 6.13 2.47 -1.25 -2.86 114.94 123.43 1sjg s ASN 72 Ca -0.01 -0.92 0.14 0.00 0.42 0.00 0.00 52.86 52.49 1sjg s ASN 72 Cb -0.06 -1.32 0.88 0.00 -1.45 0.00 0.00 41.25 39.31 1sjg s ASN 72 CO -0.00 -0.13 1.91 -2.24 -3.72 0.00 0.00 177.10 172.92 1sjg h ASP 73 N 7.94 0.00 0.29 -4.21 2.03 -1.89 -2.20 116.42 118.38 1sjg h ASP 73 Ca -0.29 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 1sjg h ASP 73 Cb 1.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 1sjg h ASP 73 CO 0.50 0.27 0.00 0.61 -1.03 0.00 0.00 179.24 179.59 1sjg n GLY 74 N -0.72 -0.98 0.00 7.15 0.00 -1.26 -2.11 105.19 107.28 1sjg n GLY 74 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.18 0.10 0.00 2.61 -1.04 -0.88 -5.03 114.28 108.86 1sjg n THR 75 Ca 0.14 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1sjg n THR 75 Cb 0.15 1.13 0.00 0.00 -1.82 0.00 0.00 70.33 69.80 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 -0.05 0.86 3.92 3.41 0.00 -0.88 -4.88 105.19 107.57 1sjg n GLY 76 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1sjg n GLY 76 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1sjg s HIS 77 N 0.00 3.49 0.61 1.61 -3.43 -1.26 -1.52 115.29 114.79 1sjg s HIS 77 Ca 0.00 0.67 -0.02 0.00 -0.80 0.00 0.00 55.06 54.91 1sjg s HIS 77 Cb 0.00 -2.28 0.04 0.00 -1.43 0.00 0.00 32.58 28.91 1sjg s HIS 77 CO 0.00 -0.28 0.87 0.20 -2.00 0.00 0.00 174.74 173.53 1sjg s GLY 78 N -4.13 1.77 -0.06 -1.38 0.00 -0.00 -3.74 107.32 99.78 1sjg s GLY 78 Ca 0.47 -1.17 0.10 0.00 0.00 0.00 0.00 44.72 44.13 1sjg s GLY 78 CO 0.43 -0.83 0.60 1.39 0.00 0.00 0.00 173.10 174.68 1sjg n ILE 79 N -2.58 1.62 -3.86 0.90 -0.00 -0.92 -3.52 119.36 111.01 1sjg n ILE 79 Ca 0.08 -0.78 -0.30 0.00 -0.00 0.00 0.00 62.75 61.75 1sjg n ILE 79 Cb 0.60 -1.11 -0.15 0.00 -0.00 0.00 0.00 39.64 38.98 1sjg n ILE 79 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1sjg s ASN 80 N -6.19 4.20 0.35 4.38 4.22 -1.18 -2.47 114.94 118.25 1sjg s ASN 80 Ca -0.07 -1.70 -0.07 0.00 -2.14 0.00 0.00 52.86 48.88 1sjg s ASN 80 Cb 0.08 -1.15 -0.05 0.00 1.28 0.00 0.00 41.25 41.41 1sjg s ASN 80 CO 0.82 -0.37 0.65 -2.16 -2.04 0.00 0.00 177.10 174.00 1sjg s PRO 81 N 1.36 3.68 0.47 3.55 0.04 -1.26 -4.90 135.00 137.94 1sjg s PRO 81 Ca 0.07 0.19 0.29 0.00 0.04 0.00 0.00 61.00 61.59 1sjg s PRO 81 Cb -0.18 -2.53 0.93 0.00 0.04 0.00 0.00 34.50 32.76 1sjg s PRO 81 CO -0.16 0.09 1.81 0.38 0.04 0.00 0.00 177.00 179.16 1sjg h ASP 82 N 1.39 0.00 1.09 6.66 2.03 -1.52 -2.95 116.42 123.11 1sjg h ASP 82 Ca -0.47 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 55.77 1sjg h ASP 82 Cb 1.19 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 1sjg h ASP 82 CO 0.65 0.00 -0.94 -2.24 -1.03 0.00 0.00 179.24 175.68 1sjg h ASP 83 N 0.00 0.00 -3.10 4.15 2.03 -1.90 -3.43 116.42 114.17 1sjg h ASP 83 Ca 0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 1sjg h ASP 83 Cb 0.69 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.16 1sjg h ASP 83 CO 0.00 0.21 -0.32 0.00 -1.03 0.00 0.00 179.24 178.10 1sjg s LEU 86 N -3.09 2.04 0.02 0.00 1.43 -0.58 -4.63 118.68 113.87 1sjg s LEU 86 Ca 0.30 -0.54 -0.20 0.00 -1.03 0.00 0.00 54.13 52.66 1sjg s LEU 86 Cb 0.06 -1.35 -0.06 0.00 0.03 0.00 0.00 46.19 44.87 1sjg s LEU 86 CO 0.07 0.13 0.59 0.00 0.23 0.00 0.00 176.35 177.37 1sjg s ALA 87 N 0.46 3.52 0.22 4.21 0.00 -1.26 -4.79 121.76 124.11 1sjg s ALA 87 Ca -0.17 0.04 0.06 0.00 0.00 0.00 0.00 51.96 51.89 1sjg s ALA 87 Cb -0.17 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1sjg s ALA 87 CO 0.07 0.24 0.22 -1.83 0.00 0.00 0.00 175.76 174.45 1sjg s GLU 88 N -0.47 3.04 0.09 0.00 1.03 -1.26 -2.76 118.70 118.37 1sjg s GLU 88 Ca 0.31 -0.93 0.02 0.00 0.03 0.00 0.00 54.97 54.39 1sjg s GLU 88 Cb -0.19 -2.66 -0.04 0.00 -0.80 0.00 0.00 34.13 30.44 1sjg s GLU 88 CO 0.18 0.43 -0.07 1.52 -1.33 0.00 0.00 175.26 175.99 1sjg s TYR 89 N -2.00 0.88 0.35 4.83 -0.85 -0.87 -5.01 117.35 114.68 1sjg s TYR 89 Ca 0.33 -0.81 -0.29 0.00 -0.52 0.00 0.00 57.07 55.78 1sjg s TYR 89 Cb -0.09 -0.51 -0.11 0.00 0.38 0.00 0.00 41.96 41.64 1sjg s TYR 89 CO 0.25 -0.11 1.50 -1.25 -1.52 0.00 0.00 175.55 174.42 1sjg s PRO 90 N -3.32 4.14 -0.08 -3.49 0.04 -1.26 -4.20 135.00 126.84 1sjg s PRO 90 Ca 0.07 2.53 0.02 0.00 0.04 0.00 0.00 61.00 63.67 1sjg s PRO 90 Cb 0.02 -3.00 0.01 0.00 0.04 0.00 0.00 34.50 31.57 1sjg s PRO 90 CO -0.03 -0.52 -0.14 0.08 0.04 0.00 0.00 177.00 176.43 1sjg s VAL 91 N -0.80 1.30 -0.14 -0.36 1.01 -1.26 -1.65 120.40 118.50 1sjg s VAL 91 Ca 0.55 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1sjg s VAL 91 Cb -0.46 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1sjg s VAL 91 CO 0.58 0.39 -0.06 -1.61 0.00 0.00 0.00 175.10 174.41 1sjg s GLU 92 N 0.71 3.48 -0.20 2.72 0.41 0.13 -4.93 118.70 121.02 1sjg s GLU 92 Ca -0.13 -0.55 -0.01 0.00 -0.41 0.00 0.00 54.97 53.87 1sjg s GLU 92 Cb -0.16 -2.82 0.00 0.00 -1.78 0.00 0.00 34.13 29.37 1sjg s GLU 92 CO 0.03 0.31 -0.12 0.08 -0.49 0.00 0.00 175.26 175.08 1sjg s VAL 93 N 0.16 2.77 -0.47 2.63 1.01 -1.26 -0.60 120.40 124.63 1sjg s VAL 93 Ca -0.02 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1sjg s VAL 93 Cb -0.14 -2.22 0.13 0.00 0.00 0.00 0.00 36.38 34.15 1sjg s VAL 93 CO 0.03 0.48 0.23 -0.54 0.00 0.00 0.00 175.10 175.30 1sjg s LYS 94 N 1.31 1.72 6.42 2.72 3.01 0.12 -5.00 119.74 130.04 1sjg s LYS 94 Ca 0.04 -2.35 0.00 0.00 -1.01 0.00 0.00 55.97 52.65 1sjg s LYS 94 Cb -0.14 -3.03 0.00 0.00 -1.01 0.00 0.00 37.83 33.66 1sjg s LYS 94 CO -0.07 -1.10 0.00 0.41 0.51 0.00 0.00 175.35 175.10 1sjg n GLY 95 N 3.39 1.93 0.40 -3.33 0.00 -1.26 -0.51 105.19 105.80 1sjg n GLY 95 Ca 0.06 0.26 0.11 0.00 0.00 0.00 0.00 46.02 46.45 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 11.13 1.75 -4.75 1.61 8.00 -1.26 -4.62 116.55 128.42 1sjg n ASP 96 Ca 0.00 -1.35 -0.36 0.00 0.71 0.00 0.00 54.79 53.80 1sjg n ASP 96 Cb 0.00 0.47 -0.08 0.00 -0.02 0.00 0.00 41.12 41.49 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 -2.54 5.81 -0.11 -2.24 1.11 0.33 0.26 116.67 119.29 1sjg s ASP 97 Ca 0.18 0.26 0.01 0.00 0.18 0.00 0.00 52.55 53.17 1sjg s ASP 97 Cb 0.18 -1.85 0.02 0.00 1.07 0.00 0.00 42.92 42.34 1sjg s ASP 97 CO 0.60 0.33 -0.11 -0.63 1.18 0.00 0.00 175.17 176.53 1sjg s ILE 98 N -0.57 1.24 -0.03 0.77 1.01 -0.32 0.13 121.20 123.42 1sjg s ILE 98 Ca 0.11 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.33 1sjg s ILE 98 Cb -0.12 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 1sjg s ILE 98 CO 0.02 0.40 -0.10 -0.31 0.00 0.00 0.00 174.94 174.95 1sjg s TYR 99 N 1.28 2.83 0.12 3.97 1.51 0.23 -1.97 117.35 125.32 1sjg s TYR 99 Ca -0.02 -0.07 0.06 0.00 -1.01 0.00 0.00 57.07 56.03 1sjg s TYR 99 Cb -0.14 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 1sjg s TYR 99 CO -0.05 0.31 -0.13 0.14 -1.11 0.00 0.00 175.55 174.71 1sjg s VAL 100 N -0.87 1.27 -0.18 0.71 -7.23 0.95 0.19 120.40 115.24 1sjg s VAL 100 Ca 0.14 -1.70 -0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1sjg s VAL 100 Cb -0.11 -1.50 0.04 0.00 0.56 0.00 0.00 36.38 35.37 1sjg s VAL 100 CO 0.04 -0.44 -0.06 -0.55 -0.31 0.00 0.00 175.10 173.78 1sjg s SER 101 N -2.45 3.03 0.00 4.85 0.15 -0.66 -0.22 113.70 118.40 1sjg s SER 101 Ca 0.08 -0.75 0.12 0.00 0.70 0.00 0.00 55.95 56.10 1sjg s SER 101 Cb -0.05 -1.00 -0.08 0.00 -1.71 0.00 0.00 66.02 63.19 1sjg s SER 101 CO 0.03 -0.18 0.59 1.07 1.20 0.00 0.00 173.24 175.94 1sjg n THR 102 N 4.82 0.00 -2.34 6.45 5.66 -1.26 -4.07 114.28 123.54 1sjg n THR 102 Ca -0.12 -0.27 -0.41 0.00 -3.05 0.00 0.00 64.05 60.19 1sjg n THR 102 Cb 0.47 1.05 -0.03 0.00 -1.55 0.00 0.00 70.33 70.28 1sjg n THR 102 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1sjg s LYS 103 N -1.93 3.11 0.00 1.09 2.20 -1.26 -1.89 119.74 121.06 1sjg s LYS 103 Ca 0.07 0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 1sjg s LYS 103 Cb 0.09 -4.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.21 1sjg s LYS 103 CO 0.43 -2.19 0.00 0.41 -0.36 0.00 0.00 175.35 173.64 1sjg n GLY 104 N 5.40 0.76 3.05 5.54 0.00 -1.26 -4.69 105.19 113.99 1sjg n GLY 104 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.82 2.12 0.22 -0.61 1.01 -0.79 -5.11 121.20 117.22 1sjg s ILE 105 Ca 0.00 -1.71 -0.13 0.00 0.00 0.00 0.00 60.65 58.81 1sjg s ILE 105 Cb 0.00 -2.29 -0.08 0.00 0.01 0.00 0.00 42.46 40.10 1sjg s ILE 105 CO 0.00 -0.13 0.61 -1.48 0.00 0.00 0.00 174.94 173.93 1sjg s LEU 106 N 1.10 4.21 0.33 2.97 0.05 -1.26 -4.73 118.68 121.36 1sjg s LEU 106 Ca -0.05 1.09 -0.28 0.00 0.05 0.00 0.00 54.13 54.94 1sjg s LEU 106 Cb -0.20 -3.63 -0.10 0.00 -2.05 0.00 0.00 46.19 40.21 1sjg s LEU 106 CO -0.06 -0.04 1.22 -2.84 -0.55 0.00 0.00 176.35 174.08 1sjg s PRO 107 N -2.51 4.36 -0.03 1.48 0.02 -1.26 -4.90 135.00 132.16 1sjg s PRO 107 Ca 0.45 2.01 -0.21 0.00 0.02 0.00 0.00 61.00 63.28 1sjg s PRO 107 Cb -0.13 -3.01 -0.05 0.00 0.02 0.00 0.00 34.50 31.34 1sjg s PRO 107 CO 0.20 -0.11 0.62 -0.80 -0.33 0.00 0.00 177.00 176.58 1sjg s ASN 108 N -0.75 6.96 0.28 2.53 0.01 -1.26 -4.36 114.94 118.35 1sjg s ASN 108 Ca 0.50 1.15 0.00 0.00 -0.71 0.00 0.00 52.86 53.79 1sjg s ASN 108 Cb -0.35 -2.38 0.00 0.00 0.41 0.00 0.00 41.25 38.93 1sjg s ASN 108 CO 0.46 0.03 0.00 0.29 -1.51 0.00 0.00 177.10 176.37 1sjg n LYS 109 N 3.12 -1.05 0.00 -0.60 5.02 -1.26 -4.55 118.16 118.84 1sjg n LYS 109 Ca -0.05 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1sjg n LYS 109 Cb 0.51 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 1sjg n LYS 109 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sjg n ALA 110 N -0.98 0.00 -3.61 7.82 0.00 -1.26 -3.75 120.51 118.73 1sjg n ALA 110 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1sjg n ALA 110 Cb 0.24 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.53 1sjg n ALA 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1sjg s HIS 111 N 0.00 0.58 -2.08 0.00 2.46 -1.26 -4.98 115.29 110.01 1sjg s HIS 111 Ca 0.00 -0.88 0.31 0.00 0.47 0.00 0.00 55.06 54.96 1sjg s HIS 111 Cb 0.00 -0.99 1.78 0.00 -0.13 0.00 0.00 32.58 33.23 1sjg s HIS 111 CO 0.00 -0.74 2.15 0.43 -2.47 0.00 0.00 174.74 174.11