#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 -4.63 7.83 2.88 -1.26 -4.65 113.62 113.79 1sjg n SER 2 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1sjg n SER 2 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1sjg n SER 2 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1sjg s PHE 3 N 0.00 3.10 0.04 0.66 0.40 -1.26 -1.33 117.98 119.60 1sjg s PHE 3 Ca 0.00 1.14 0.07 0.00 -0.60 0.00 0.00 56.93 57.54 1sjg s PHE 3 Cb 0.00 -3.78 -0.03 0.00 0.51 0.00 0.00 43.02 39.73 1sjg s PHE 3 CO 0.00 -0.85 -0.21 -2.00 0.70 0.00 0.00 175.22 172.86 1sjg s GLU 4 N 3.75 1.41 -0.03 0.44 2.56 0.63 -4.85 118.70 122.60 1sjg s GLU 4 Ca 0.46 -0.96 -0.30 0.00 0.00 0.00 0.00 54.97 54.17 1sjg s GLU 4 Cb -0.12 -1.54 -0.04 0.00 2.00 0.00 0.00 34.13 34.44 1sjg s GLU 4 CO 0.17 0.39 1.26 0.21 -0.56 0.00 0.00 175.26 176.73 1sjg s LYS 5 N -1.20 4.34 -0.18 4.30 2.20 -1.26 -0.27 119.74 127.67 1sjg s LYS 5 Ca 0.08 1.76 -0.01 0.00 -0.36 0.00 0.00 55.97 57.43 1sjg s LYS 5 Cb -0.09 -3.55 -0.11 0.00 -1.51 0.00 0.00 37.83 32.57 1sjg s LYS 5 CO 0.02 -0.47 -0.17 1.51 -0.36 0.00 0.00 175.35 175.87 1sjg n ILE 6 N 4.60 1.00 -4.06 5.43 0.13 -0.96 -4.94 119.36 120.56 1sjg n ILE 6 Ca 0.11 -0.35 -0.14 0.00 -1.10 0.00 0.00 62.75 61.27 1sjg n ILE 6 Cb 0.45 -1.26 -0.03 0.00 -0.84 0.00 0.00 39.64 37.96 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 -3.11 1.74 0.62 0.00 1.04 -1.26 -0.29 113.70 112.43 1sjg s SER 8 Ca 0.29 -0.72 0.31 0.00 0.48 0.00 0.00 55.95 56.31 1sjg s SER 8 Cb -0.01 -0.04 1.76 0.00 0.10 0.00 0.00 66.02 67.83 1sjg s SER 8 CO 0.21 -0.14 2.10 0.25 0.98 0.00 0.00 173.24 176.64 1sjg h LEU 9 N 3.87 0.00 -1.56 2.42 7.12 0.02 0.35 115.31 127.53 1sjg h LEU 9 Ca -0.40 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.57 1sjg h LEU 9 Cb 1.19 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.32 1sjg h LEU 9 CO 0.46 0.00 -0.19 -0.78 -0.13 0.00 0.00 178.44 177.80 1sjg h ASP 10 N 0.00 0.04 -0.00 1.25 3.58 -1.96 -3.15 116.42 116.18 1sjg h ASP 10 Ca 0.06 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1sjg h ASP 10 Cb 0.48 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.52 1sjg h ASP 10 CO -0.00 0.23 -0.26 -0.90 -2.88 0.00 0.00 179.24 175.43 1sjg n ASP 11 N -4.29 0.52 -3.90 2.28 5.75 0.99 -4.88 116.55 113.02 1sjg n ASP 11 Ca -0.02 -0.76 -0.30 0.00 -0.01 0.00 0.00 54.79 53.70 1sjg n ASP 11 Cb 0.26 0.84 -0.16 0.00 -1.03 0.00 0.00 41.12 41.04 1sjg n ASP 11 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1sjg s ILE 12 N -1.46 1.30 0.33 2.12 1.10 0.19 -4.95 121.20 119.83 1sjg s ILE 12 Ca 0.03 -1.05 0.07 0.00 -0.51 0.00 0.00 60.65 59.19 1sjg s ILE 12 Cb 0.05 -1.61 -0.02 0.00 0.15 0.00 0.00 42.46 41.03 1sjg s ILE 12 CO 0.24 -0.10 0.39 0.26 -2.11 0.00 0.00 174.94 173.62 1sjg s TRP 13 N 1.50 3.06 -0.05 3.50 0.52 -1.26 -4.27 118.94 121.95 1sjg s TRP 13 Ca -0.04 -0.23 -0.30 0.00 0.02 0.00 0.00 56.10 55.55 1sjg s TRP 13 Cb -0.18 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.22 1sjg s TRP 13 CO -0.07 0.11 1.29 0.08 0.02 0.00 0.00 176.95 178.38 1sjg s VAL 14 N -2.20 4.05 0.00 4.03 1.01 -1.26 -2.22 120.40 123.81 1sjg s VAL 14 Ca 0.42 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.78 1sjg s VAL 14 Cb -0.08 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1sjg s VAL 14 CO 0.29 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1sjg n GLY 15 N 3.52 0.33 3.86 4.51 0.00 0.18 -4.95 105.19 112.64 1sjg n GLY 15 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.90 3.17 -0.13 1.61 8.01 -0.94 -4.88 118.70 124.63 1sjg s GLU 16 Ca 0.00 -0.68 -0.11 0.00 0.01 0.00 0.00 54.97 54.19 1sjg s GLU 16 Cb 0.00 -2.83 0.04 0.00 -4.31 0.00 0.00 34.13 27.03 1sjg s GLU 16 CO 0.00 0.53 0.34 0.00 0.01 0.00 0.00 175.26 176.15 1sjg s MET 17 N -2.92 0.38 0.06 1.61 0.23 -1.26 -1.61 119.30 115.78 1sjg s MET 17 Ca 0.33 0.53 -0.23 0.00 -1.03 0.00 0.00 55.69 55.28 1sjg s MET 17 Cb -0.11 0.14 0.06 0.00 -1.53 0.00 0.00 34.83 33.38 1sjg s MET 17 CO 0.26 -0.07 0.55 -1.83 -2.03 0.00 0.00 175.02 171.89 1sjg s GLU 18 N 0.45 1.09 0.02 3.16 -1.05 -0.42 -4.72 118.70 117.22 1sjg s GLU 18 Ca -0.02 -0.24 -0.13 0.00 -0.15 0.00 0.00 54.97 54.43 1sjg s GLU 18 Cb -0.04 0.50 -0.06 0.00 -0.44 0.00 0.00 34.13 34.09 1sjg s GLU 18 CO -0.02 -0.41 0.39 -0.08 0.95 0.00 0.00 175.26 176.10 1sjg s THR 19 N -2.59 5.07 0.06 1.83 -1.32 -1.26 -0.21 115.64 117.22 1sjg s THR 19 Ca -0.04 0.71 0.05 0.00 -1.21 0.00 0.00 61.69 61.20 1sjg s THR 19 Cb -0.01 -3.68 -0.03 0.00 -1.51 0.00 0.00 72.50 67.28 1sjg s THR 19 CO -0.03 0.50 -0.14 -0.36 -2.21 0.00 0.00 174.62 172.39 1sjg s PHE 20 N -1.16 1.19 -0.11 9.09 0.08 0.11 -4.93 117.98 122.25 1sjg s PHE 20 Ca 0.26 -0.43 -0.05 0.00 0.12 0.00 0.00 56.93 56.83 1sjg s PHE 20 Cb -0.16 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.57 1sjg s PHE 20 CO 0.14 0.05 0.09 -2.00 -0.10 0.00 0.00 175.22 173.39 1sjg s GLU 21 N -1.55 3.28 0.71 0.44 2.12 -1.26 -0.10 118.70 122.33 1sjg s GLU 21 Ca -0.01 -0.24 -0.08 0.00 0.36 0.00 0.00 54.97 54.99 1sjg s GLU 21 Cb -0.09 -3.04 0.05 0.00 0.26 0.00 0.00 34.13 31.31 1sjg s GLU 21 CO 0.02 0.74 1.05 0.95 -0.54 0.00 0.00 175.26 177.47 1sjg s THR 22 N -0.94 2.61 -0.73 -1.70 -4.23 0.79 -4.92 115.64 106.51 1sjg s THR 22 Ca 0.14 -0.06 0.19 0.00 -1.18 0.00 0.00 61.69 60.78 1sjg s THR 22 Cb -0.12 -3.14 0.19 0.00 1.34 0.00 0.00 72.50 70.77 1sjg s THR 22 CO 0.03 -0.16 1.59 -1.20 -0.54 0.00 0.00 174.62 174.34 1sjg n SER 23 N -2.97 0.35 -0.35 3.99 7.64 -1.26 -1.47 113.62 119.54 1sjg n SER 23 Ca 0.07 0.59 0.13 0.00 1.01 0.00 0.00 58.87 60.67 1sjg n SER 23 Cb 0.60 -0.66 0.44 0.00 -1.01 0.00 0.00 64.21 63.57 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 -1.88 1.24 0.00 6.43 8.00 -1.26 -4.92 116.55 124.15 1sjg n ASP 24 Ca 0.03 -1.15 0.00 0.00 0.71 0.00 0.00 54.79 54.38 1sjg n ASP 24 Cb 0.20 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 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 1.27 0.74 3.66 0.44 0.00 -0.54 -5.04 105.19 105.72 1sjg n GLY 25 Ca 0.15 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.95 -0.20 2.61 2.01 -1.26 -4.81 115.64 116.95 1sjg s THR 26 Ca 0.00 1.39 -0.21 0.00 0.31 0.00 0.00 61.69 63.18 1sjg s THR 26 Cb 0.00 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1sjg s THR 26 CO 0.00 0.07 0.62 -0.70 -0.69 0.00 0.00 174.62 173.92 1sjg s GLU 27 N 2.06 4.21 -0.03 4.92 2.56 -1.26 -0.15 118.70 131.01 1sjg s GLU 27 Ca 0.33 0.60 0.03 0.00 0.00 0.00 0.00 54.97 55.93 1sjg s GLU 27 Cb -0.16 -3.57 0.00 0.00 2.00 0.00 0.00 34.13 32.40 1sjg s GLU 27 CO 0.11 -0.23 -0.12 0.08 -0.56 0.00 0.00 175.26 174.55 1sjg s VAL 28 N 1.87 1.00 -0.37 3.70 1.01 0.85 -1.01 120.40 127.46 1sjg s VAL 28 Ca 0.28 -0.48 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 1sjg s VAL 28 Cb -0.16 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.36 1sjg s VAL 28 CO 0.10 0.30 0.70 -0.22 0.00 0.00 0.00 175.10 175.98 1sjg s LEU 29 N 0.14 4.23 -0.37 3.92 2.96 0.18 0.06 118.68 129.81 1sjg s LEU 29 Ca -0.03 0.17 -0.17 0.00 -0.22 0.00 0.00 54.13 53.88 1sjg s LEU 29 Cb -0.10 -2.88 0.00 0.00 0.50 0.00 0.00 46.19 43.72 1sjg s LEU 29 CO 0.01 -0.68 0.42 -0.63 -1.32 0.00 0.00 176.35 174.16 1sjg s ILE 30 N 2.89 5.11 -0.16 6.68 -1.09 0.71 -1.22 121.20 134.12 1sjg s ILE 30 Ca 0.27 -0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1sjg s ILE 30 Cb -0.14 -3.92 -0.00 0.00 -1.58 0.00 0.00 42.46 36.82 1sjg s ILE 30 CO 0.16 -0.22 -0.15 -0.69 -1.23 0.00 0.00 174.94 172.81 1sjg s VAL 31 N 2.15 2.65 -0.41 2.92 1.01 -0.24 -1.30 120.40 127.17 1sjg s VAL 31 Ca 0.14 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 1sjg s VAL 31 Cb -0.16 -2.12 0.08 0.00 0.00 0.00 0.00 36.38 34.18 1sjg s VAL 31 CO 0.13 0.51 0.23 0.21 0.00 0.00 0.00 175.10 176.18 1sjg s ASN 32 N 0.87 5.53 0.05 3.32 2.47 -0.64 -0.61 114.94 125.93 1sjg s ASN 32 Ca -0.04 -1.56 0.00 0.00 0.42 0.00 0.00 52.86 51.68 1sjg s ASN 32 Cb -0.15 -1.94 -0.04 0.00 -1.45 0.00 0.00 41.25 37.66 1sjg s ASN 32 CO -0.01 -0.52 0.17 -0.55 -3.72 0.00 0.00 177.10 172.47 1sjg s SER 33 N 2.02 6.15 0.14 -4.21 0.15 0.36 0.48 113.70 118.79 1sjg s SER 33 Ca 0.03 0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.92 1sjg s SER 33 Cb -0.23 -1.85 -0.08 0.00 -1.71 0.00 0.00 66.02 62.15 1sjg s SER 33 CO 0.01 0.19 1.33 -0.08 1.20 0.00 0.00 173.24 175.89 1sjg h GLU 34 N 3.27 0.15 0.02 5.44 4.81 -1.91 -2.11 114.58 124.26 1sjg h GLU 34 Ca -0.46 -0.19 -0.33 0.00 -0.13 0.00 0.00 59.36 58.24 1sjg h GLU 34 Cb 1.17 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 1sjg h GLU 34 CO 0.72 0.99 -1.84 -1.91 -0.73 0.00 0.00 179.01 176.24 1sjg n GLU 35 N -3.57 0.62 0.18 1.92 0.00 -1.26 -4.37 120.64 114.16 1sjg n GLU 35 Ca -0.03 0.40 0.12 0.00 0.00 0.00 0.00 57.16 57.64 1sjg n GLU 35 Cb 0.86 -1.65 0.12 0.00 0.00 0.00 0.00 31.44 30.76 1sjg n GLU 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1sjg h HIS 36 N -0.70 0.00 0.00 4.31 3.86 -1.95 -3.50 115.15 117.17 1sjg h HIS 36 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1sjg h HIS 36 Cb 1.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.05 1sjg h HIS 36 CO 0.04 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.24 1sjg n GLY 37 N 1.13 -2.36 3.62 2.45 0.00 -0.79 -4.75 105.19 104.48 1sjg n GLY 37 Ca 0.03 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.43 4.86 0.13 1.61 0.11 -1.26 -0.49 120.40 124.93 1sjg s VAL 38 Ca 0.00 1.18 0.04 0.00 -2.93 0.00 0.00 61.98 60.27 1sjg s VAL 38 Cb 0.00 -4.08 -0.04 0.00 -1.53 0.00 0.00 36.38 30.73 1sjg s VAL 38 CO 0.00 -0.15 -0.11 -0.54 -3.33 0.00 0.00 175.10 170.97 1sjg s LYS 39 N 2.80 0.99 -0.05 1.54 1.02 0.22 -4.66 119.74 121.60 1sjg s LYS 39 Ca 0.30 -1.33 0.05 0.00 0.02 0.00 0.00 55.97 55.01 1sjg s LYS 39 Cb -0.15 -0.64 -0.00 0.00 -0.52 0.00 0.00 37.83 36.52 1sjg s LYS 39 CO 0.11 0.09 -0.19 0.00 -0.92 0.00 0.00 175.35 174.44 1sjg s ALA 40 N -2.87 1.67 0.17 5.17 0.00 -1.24 -1.08 121.76 123.57 1sjg s ALA 40 Ca 0.12 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1sjg s ALA 40 Cb -0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 1sjg s ALA 40 CO 0.01 0.30 -0.02 0.71 0.00 0.00 0.00 175.76 176.76 1sjg s TYR 41 N 0.03 1.23 0.44 0.00 2.02 -0.36 -1.28 117.35 119.42 1sjg s TYR 41 Ca -0.05 -0.97 -0.25 0.00 -0.37 0.00 0.00 57.07 55.44 1sjg s TYR 41 Cb -0.12 -0.69 -0.08 0.00 -0.40 0.00 0.00 41.96 40.66 1sjg s TYR 41 CO 0.03 -0.15 1.26 1.14 -1.57 0.00 0.00 175.55 176.26 1sjg s GLN 42 N -3.88 3.81 0.00 -0.62 -2.07 0.15 0.51 119.66 117.56 1sjg s GLN 42 Ca 0.23 2.04 0.14 0.00 -1.82 0.00 0.00 55.36 55.94 1sjg s GLN 42 Cb 0.06 -2.59 0.46 0.00 -1.09 0.00 0.00 33.01 29.84 1sjg s GLN 42 CO 0.03 -0.58 1.36 0.00 -1.32 0.00 0.00 175.29 174.78 1sjg n ALA 43 N -0.18 2.47 -2.86 2.60 0.00 -0.18 -4.46 120.51 117.90 1sjg n ALA 43 Ca 0.06 -0.60 -0.35 0.00 0.00 0.00 0.00 53.44 52.54 1sjg n ALA 43 Cb 0.45 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 1sjg n ALA 43 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1sjg s MET 44 N -1.60 3.48 0.16 0.00 -2.45 -1.26 -4.53 119.30 113.09 1sjg s MET 44 Ca 0.27 -0.19 0.10 0.00 -1.25 0.00 0.00 55.69 54.62 1sjg s MET 44 Cb 0.14 -3.13 -0.04 0.00 1.25 0.00 0.00 34.83 33.05 1sjg s MET 44 CO 0.20 0.71 -0.17 0.00 1.05 0.00 0.00 175.02 176.81 1sjg h PRO 46 N 3.30 0.29 0.00 0.00 0.11 -1.91 -2.87 132.00 130.93 1sjg h PRO 46 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1sjg h PRO 46 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1sjg h PRO 46 CO 0.49 0.19 0.00 0.72 -0.21 0.00 0.00 178.00 179.20 1sjg n HIS 47 N -4.99 0.00 -3.97 0.65 8.25 -1.26 -4.98 115.22 108.91 1sjg n HIS 47 Ca 0.32 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.68 1sjg n HIS 47 Cb 1.02 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.10 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 -0.29 1.80 -0.11 -0.41 -0.21 -1.08 -5.13 119.66 114.22 1sjg s GLN 48 Ca 0.00 -1.39 -0.19 0.00 0.02 0.00 0.00 55.36 53.80 1sjg s GLN 48 Cb 0.00 0.51 -0.04 0.00 1.00 0.00 0.00 33.01 34.48 1sjg s GLN 48 CO 0.00 -0.78 0.52 -1.83 -2.12 0.00 0.00 175.29 171.09 1sjg s GLU 49 N -3.43 4.36 0.00 2.91 -1.05 -1.26 -3.41 118.70 116.81 1sjg s GLU 49 Ca 0.22 0.54 0.02 0.00 -0.15 0.00 0.00 54.97 55.60 1sjg s GLU 49 Cb -0.02 -3.44 0.03 0.00 -0.44 0.00 0.00 34.13 30.26 1sjg s GLU 49 CO 0.12 0.13 0.80 1.51 0.95 0.00 0.00 175.26 178.77 1sjg n ILE 50 N 3.72 0.00 -2.19 1.83 3.06 -1.26 -5.06 119.36 119.46 1sjg n ILE 50 Ca -0.06 -0.08 -0.02 0.00 -2.50 0.00 0.00 62.75 60.09 1sjg n ILE 50 Cb 0.51 0.33 0.00 0.00 0.54 0.00 0.00 39.64 41.03 1sjg n ILE 50 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1sjg n LEU 51 N 0.04 -5.21 0.14 9.51 4.77 -1.26 -4.92 117.00 120.07 1sjg n LEU 51 Ca -0.11 0.50 -0.01 0.00 -0.03 0.00 0.00 56.01 56.37 1sjg n LEU 51 Cb 0.65 -2.28 0.24 0.00 -2.33 0.00 0.00 43.42 39.70 1sjg n LEU 51 CO -0.06 -1.47 0.59 -0.07 -1.33 0.00 0.00 177.39 175.05 1sjg h LEU 52 N 1.32 0.07 -1.88 2.23 4.07 -1.85 -2.96 115.31 116.30 1sjg h LEU 52 Ca 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 1sjg h LEU 52 Cb 0.30 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.02 1sjg h LEU 52 CO 0.08 0.56 -0.07 0.77 -1.08 0.00 0.00 178.44 178.70 1sjg h SER 53 N 0.05 0.00 -0.21 -0.43 4.64 -1.91 -1.65 113.55 114.04 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 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1sjg h SER 53 CO 0.07 0.07 0.00 -0.62 -0.87 0.00 0.00 176.83 175.48 1sjg n GLU 54 N -4.43 2.34 0.00 4.77 4.71 -1.12 -4.41 120.64 122.49 1sjg n GLU 54 Ca -0.03 -1.99 0.00 0.00 -0.01 0.00 0.00 57.16 55.13 1sjg n GLU 54 Cb 0.15 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.10 1sjg n GLU 54 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sjg n GLY 55 N 1.40 -0.80 2.17 0.62 0.00 -0.63 -5.07 105.19 102.89 1sjg n GLY 55 Ca 0.17 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.94 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 -3.11 -4.57 1.61 7.64 -1.17 -4.75 113.62 109.27 1sjg n SER 56 Ca 0.00 0.72 -0.42 0.00 1.01 0.00 0.00 58.87 60.18 1sjg n SER 56 Cb 0.00 2.99 -0.06 0.00 -1.01 0.00 0.00 64.21 66.12 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 -1.80 3.13 -0.24 1.43 6.14 -1.26 0.25 117.35 125.01 1sjg s TYR 57 Ca 0.00 0.33 0.01 0.00 0.64 0.00 0.00 57.07 58.05 1sjg s TYR 57 Cb 0.00 -3.20 0.04 0.00 0.42 0.00 0.00 41.96 39.22 1sjg s TYR 57 CO 0.00 -0.67 -0.12 -1.83 0.64 0.00 0.00 175.55 173.57 1sjg s GLU 58 N 2.78 2.63 0.00 4.97 4.04 0.09 -4.90 118.70 128.32 1sjg s GLU 58 Ca 0.25 -1.09 0.00 0.00 0.04 0.00 0.00 54.97 54.17 1sjg s GLU 58 Cb -0.14 -2.84 0.00 0.00 0.02 0.00 0.00 34.13 31.17 1sjg s GLU 58 CO 0.16 -0.42 0.00 0.41 -1.84 0.00 0.00 175.26 173.57 1sjg n GLY 59 N 4.56 1.31 0.00 -3.83 0.00 -1.26 -2.22 105.19 103.75 1sjg n GLY 59 Ca -0.17 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.23 3.87 -0.02 0.00 -1.26 -4.92 105.19 103.08 1sjg n GLY 60 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 5.26 -0.19 1.61 1.01 -0.94 -5.01 120.40 122.14 1sjg s VAL 61 Ca 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 1sjg s VAL 61 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 1sjg s VAL 61 CO 0.00 0.50 -0.05 -0.63 0.00 0.00 0.00 175.10 174.93 1sjg s ILE 62 N -1.16 3.49 0.08 2.22 1.01 -1.26 -0.73 121.20 124.85 1sjg s ILE 62 Ca 0.23 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.29 1sjg s ILE 62 Cb -0.14 -2.56 -0.06 0.00 0.01 0.00 0.00 42.46 39.71 1sjg s ILE 62 CO 0.12 0.45 0.45 -0.89 0.00 0.00 0.00 174.94 175.06 1sjg s THR 63 N 1.06 5.01 0.00 2.92 2.01 0.14 -2.32 115.64 124.46 1sjg s THR 63 Ca 0.01 0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.65 1sjg s THR 63 Cb -0.15 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.68 1sjg s THR 63 CO -0.00 0.34 0.04 0.00 -0.69 0.00 0.00 174.62 174.31 1sjg n ARG 65 N -0.23 0.00 -0.11 0.00 3.00 -1.26 -4.55 116.66 113.51 1sjg n ARG 65 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.67 1sjg n ARG 65 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.34 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 -0.28 1.37 -1.96 5.13 0.00 -1.26 -4.98 120.51 118.53 1sjg n ALA 66 Ca 0.00 -1.04 -0.27 0.00 0.00 0.00 0.00 53.44 52.12 1sjg n ALA 66 Cb 0.00 -0.19 0.16 0.00 0.00 0.00 0.00 19.45 19.43 1sjg n ALA 66 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1sjg s HIS 67 N -2.52 1.45 0.00 0.00 -3.43 -1.26 -5.03 115.29 104.50 1sjg s HIS 67 Ca -0.32 0.03 0.00 0.00 -0.80 0.00 0.00 55.06 53.97 1sjg s HIS 67 Cb 0.09 -3.69 0.00 0.00 -1.43 0.00 0.00 32.58 27.54 1sjg s HIS 67 CO 0.63 -2.35 0.97 1.28 -2.00 0.00 0.00 174.74 173.27 1sjg n LEU 68 N -3.43 0.00 0.00 5.38 4.32 -1.26 -4.76 117.00 117.25 1sjg n LEU 68 Ca 0.16 0.97 0.00 0.00 -0.02 0.00 0.00 56.01 57.12 1sjg n LEU 68 Cb 0.60 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 1sjg n LEU 68 CO 0.44 -0.47 0.00 0.79 -1.22 0.00 0.00 177.39 176.93 1sjg n TRP 69 N -2.23 0.00 -3.97 -1.77 7.02 -1.26 -4.89 117.44 110.34 1sjg n TRP 69 Ca 0.00 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.15 1sjg n TRP 69 Cb 0.00 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.83 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 0.37 5.18 0.01 -0.99 -4.23 -1.26 -1.50 115.64 113.22 1sjg s THR 70 Ca 0.00 -0.27 0.02 0.00 -1.18 0.00 0.00 61.69 60.26 1sjg s THR 70 Cb 0.00 -3.41 -0.01 0.00 1.34 0.00 0.00 72.50 70.42 1sjg s THR 70 CO 0.00 0.32 -0.06 0.12 -0.54 0.00 0.00 174.62 174.46 1sjg s PHE 71 N -1.29 0.53 -0.12 3.99 2.19 -0.98 -3.84 117.98 118.47 1sjg s PHE 71 Ca 0.26 -0.22 0.03 0.00 0.33 0.00 0.00 56.93 57.33 1sjg s PHE 71 Cb -0.12 -0.33 0.00 0.00 -1.31 0.00 0.00 43.02 41.25 1sjg s PHE 71 CO 0.18 -0.03 -0.22 1.21 1.83 0.00 0.00 175.22 178.19 1sjg s ASN 72 N -0.57 3.23 0.02 6.13 2.47 -1.26 -4.24 114.94 120.72 1sjg s ASN 72 Ca -0.02 -0.54 -0.17 0.00 0.42 0.00 0.00 52.86 52.55 1sjg s ASN 72 Cb -0.04 -1.45 -0.34 0.00 -1.45 0.00 0.00 41.25 37.97 1sjg s ASN 72 CO -0.00 0.13 1.01 -2.24 -3.72 0.00 0.00 177.10 172.28 1sjg h ASP 73 N 6.94 0.81 0.00 -4.21 2.03 -1.90 -3.19 116.42 116.90 1sjg h ASP 73 Ca -0.25 -0.90 -0.11 0.00 -0.73 0.00 0.00 57.03 55.04 1sjg h ASP 73 Cb 1.22 -0.26 -0.04 0.00 -0.83 0.00 0.00 39.33 39.42 1sjg h ASP 73 CO 0.51 1.65 -0.15 0.61 -1.03 0.00 0.00 179.24 180.82 1sjg n GLY 74 N 1.63 2.46 0.88 7.15 0.00 -1.26 -2.03 105.19 114.02 1sjg n GLY 74 Ca -0.16 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 2.32 0.00 0.00 2.61 -1.04 -1.26 -5.06 114.28 111.86 1sjg n THR 75 Ca 0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1sjg n THR 75 Cb 0.64 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 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 -1.37 2.30 3.72 3.41 0.00 -0.86 -4.99 105.19 107.41 1sjg n GLY 76 Ca 0.00 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 3.45 0.89 1.61 3.76 -1.26 -2.79 115.29 120.95 1sjg s HIS 77 Ca 0.00 1.37 -0.12 0.00 -0.15 0.00 0.00 55.06 56.16 1sjg s HIS 77 Cb 0.00 -3.41 0.17 0.00 1.11 0.00 0.00 32.58 30.45 1sjg s HIS 77 CO 0.00 -1.20 1.23 0.20 -0.85 0.00 0.00 174.74 174.12 1sjg s GLY 78 N 0.59 1.76 0.01 -2.22 0.00 0.82 -4.59 107.32 103.70 1sjg s GLY 78 Ca 0.56 -1.28 -0.01 0.00 0.00 0.00 0.00 44.72 43.98 1sjg s GLY 78 CO 0.32 -0.59 0.87 -2.22 0.00 0.00 0.00 173.10 171.49 1sjg h ILE 79 N -1.31 1.17 -2.77 0.90 5.03 -1.89 -3.27 117.51 115.37 1sjg h ILE 79 Ca -0.43 -2.83 -0.39 0.00 -0.12 0.00 0.00 64.86 61.10 1sjg h ILE 79 Cb 1.25 2.74 -0.38 0.00 -3.03 0.00 0.00 36.82 37.40 1sjg h ILE 79 CO 0.41 0.81 -0.69 0.21 -0.68 0.00 0.00 178.15 178.21 1sjg s ASN 80 N -6.90 1.85 0.39 1.72 3.84 -1.25 -2.62 114.94 111.96 1sjg s ASN 80 Ca -0.08 -0.42 -0.23 0.00 0.21 0.00 0.00 52.86 52.34 1sjg s ASN 80 Cb 0.07 0.09 -0.11 0.00 -0.55 0.00 0.00 41.25 40.75 1sjg s ASN 80 CO 0.85 -0.34 0.94 -2.84 -2.79 0.00 0.00 177.10 172.92 1sjg s PRO 81 N 2.24 4.36 0.41 0.43 0.02 -1.26 -4.54 135.00 136.66 1sjg s PRO 81 Ca 0.05 1.19 0.23 0.00 0.02 0.00 0.00 61.00 62.49 1sjg s PRO 81 Cb -0.16 -2.42 0.48 0.00 0.02 0.00 0.00 34.50 32.42 1sjg s PRO 81 CO -0.11 0.09 1.65 0.38 -0.33 0.00 0.00 177.00 178.68 1sjg h ASP 82 N 2.40 0.00 0.63 2.53 3.04 -1.56 -2.85 116.42 120.61 1sjg h ASP 82 Ca -0.48 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 1sjg h ASP 82 Cb 1.18 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 1sjg h ASP 82 CO 0.63 0.15 -0.21 -0.90 -2.04 0.00 0.00 179.24 176.87 1sjg n ASP 83 N -3.17 0.33 -4.84 4.15 5.68 -1.26 -4.40 116.55 113.04 1sjg n ASP 83 Ca 0.03 -0.09 -0.28 0.00 -0.50 0.00 0.00 54.79 53.94 1sjg n ASP 83 Cb 0.54 -0.11 -0.05 0.00 -1.14 0.00 0.00 41.12 40.36 1sjg n ASP 83 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sjg n LEU 86 N -0.87 2.48 -2.73 0.00 -0.00 -1.12 -4.73 117.00 110.03 1sjg n LEU 86 Ca -0.04 -3.37 -0.01 0.00 -0.00 0.00 0.00 56.01 52.59 1sjg n LEU 86 Cb 0.64 -0.03 -0.01 0.00 -0.00 0.00 0.00 43.42 44.02 1sjg n LEU 86 CO 0.34 1.24 -0.20 0.00 -0.00 0.00 0.00 177.39 178.77 1sjg n ALA 87 N -0.46 -1.73 -2.55 1.47 0.00 -1.23 0.32 120.51 116.32 1sjg n ALA 87 Ca 0.18 0.64 -0.42 0.00 0.00 0.00 0.00 53.44 53.84 1sjg n ALA 87 Cb 0.91 -1.63 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 1sjg n ALA 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1sjg s GLU 88 N -0.21 3.52 -0.18 0.00 -1.05 -1.26 -3.09 118.70 116.43 1sjg s GLU 88 Ca -0.07 -0.06 -0.08 0.00 -0.15 0.00 0.00 54.97 54.61 1sjg s GLU 88 Cb 0.00 -3.88 -0.04 0.00 -0.44 0.00 0.00 34.13 29.77 1sjg s GLU 88 CO 0.19 -0.92 0.08 0.71 0.95 0.00 0.00 175.26 176.28 1sjg s TYR 89 N 2.94 3.31 0.28 4.83 2.02 -0.41 -5.04 117.35 125.29 1sjg s TYR 89 Ca 0.26 0.17 -0.29 0.00 -0.37 0.00 0.00 57.07 56.84 1sjg s TYR 89 Cb -0.14 -2.09 -0.10 0.00 -0.40 0.00 0.00 41.96 39.24 1sjg s TYR 89 CO 0.18 0.23 1.17 -1.25 -1.57 0.00 0.00 175.55 174.31 1sjg s PRO 90 N 0.27 4.55 -0.01 -1.71 0.04 -1.26 -3.64 135.00 133.24 1sjg s PRO 90 Ca 0.05 1.92 0.05 0.00 0.04 0.00 0.00 61.00 63.07 1sjg s PRO 90 Cb -0.12 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 1sjg s PRO 90 CO -0.00 0.07 -0.17 0.08 0.04 0.00 0.00 177.00 177.02 1sjg s VAL 91 N -1.04 1.38 -0.02 -0.36 1.01 -1.26 -0.39 120.40 119.71 1sjg s VAL 91 Ca 0.47 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1sjg s VAL 91 Cb -0.34 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 1sjg s VAL 91 CO 0.44 0.39 -0.12 -1.61 0.00 0.00 0.00 175.10 174.20 1sjg s GLU 92 N -0.42 1.13 -0.16 2.72 2.02 -0.32 -4.99 118.70 118.68 1sjg s GLU 92 Ca 0.07 -0.41 -0.04 0.00 0.02 0.00 0.00 54.97 54.61 1sjg s GLU 92 Cb -0.07 -1.05 -0.03 0.00 0.10 0.00 0.00 34.13 33.09 1sjg s GLU 92 CO -0.01 0.19 -0.04 0.08 0.02 0.00 0.00 175.26 175.51 1sjg s VAL 93 N -0.01 3.86 -0.40 2.63 1.01 -1.26 0.41 120.40 126.63 1sjg s VAL 93 Ca -0.00 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1sjg s VAL 93 Cb -0.08 -2.69 0.12 0.00 0.00 0.00 0.00 36.38 33.73 1sjg s VAL 93 CO 0.00 0.49 0.15 -1.59 0.00 0.00 0.00 175.10 174.16 1sjg s LYS 94 N 0.44 1.36 6.50 2.72 0.00 0.76 -5.01 119.74 126.51 1sjg s LYS 94 Ca -0.04 -1.88 0.00 0.00 0.00 0.00 0.00 55.97 54.05 1sjg s LYS 94 Cb -0.14 -2.72 0.00 0.00 0.00 0.00 0.00 37.83 34.97 1sjg s LYS 94 CO 0.03 -1.04 0.00 0.41 0.00 0.00 0.00 175.35 174.74 1sjg n GLY 95 N 3.96 1.92 0.62 0.59 0.00 -1.26 -1.57 105.19 109.45 1sjg n GLY 95 Ca 0.04 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 10.34 2.26 -4.60 1.61 9.92 -1.26 -4.88 116.55 129.94 1sjg n ASP 96 Ca 0.00 -1.63 -0.30 0.00 -0.53 0.00 0.00 54.79 52.33 1sjg n ASP 96 Cb 0.00 0.29 -0.10 0.00 -0.64 0.00 0.00 41.12 40.67 1sjg n ASP 96 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1sjg s ASP 97 N -2.09 4.56 -0.06 -2.24 1.01 -0.61 0.64 116.67 117.87 1sjg s ASP 97 Ca 0.20 -0.30 0.03 0.00 0.71 0.00 0.00 52.55 53.19 1sjg s ASP 97 Cb 0.17 -0.95 0.00 0.00 1.01 0.00 0.00 42.92 43.15 1sjg s ASP 97 CO 0.42 0.20 -0.16 -0.63 0.21 0.00 0.00 175.17 175.21 1sjg s ILE 98 N -1.20 1.38 0.04 0.77 1.01 0.61 -0.17 121.20 123.65 1sjg s ILE 98 Ca 0.22 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 1sjg s ILE 98 Cb -0.11 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 1sjg s ILE 98 CO 0.14 0.41 0.22 -0.31 0.00 0.00 0.00 174.94 175.39 1sjg s TYR 99 N 0.38 3.53 -0.02 3.97 2.02 0.17 -2.25 117.35 125.14 1sjg s TYR 99 Ca -0.11 0.33 0.02 0.00 -0.37 0.00 0.00 57.07 56.94 1sjg s TYR 99 Cb -0.14 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.60 1sjg s TYR 99 CO 0.04 0.60 -0.08 0.14 -1.57 0.00 0.00 175.55 174.68 1sjg s VAL 100 N -1.45 0.64 -0.37 0.71 -7.23 0.62 -1.17 120.40 112.15 1sjg s VAL 100 Ca 0.33 -0.30 -0.21 0.00 -1.81 0.00 0.00 61.98 59.99 1sjg s VAL 100 Cb -0.13 -0.56 0.01 0.00 0.56 0.00 0.00 36.38 36.25 1sjg s VAL 100 CO 0.24 0.20 0.66 -0.55 -0.31 0.00 0.00 175.10 175.34 1sjg s SER 101 N 0.09 6.42 0.00 4.85 0.15 0.47 -0.27 113.70 125.41 1sjg s SER 101 Ca -0.01 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1sjg s SER 101 Cb -0.06 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1sjg s SER 101 CO -0.00 -0.65 0.00 0.35 1.20 0.00 0.00 173.24 174.14 1sjg n THR 102 N 5.67 0.00 -2.27 6.45 -2.24 -0.44 -4.30 114.28 117.15 1sjg n THR 102 Ca -0.01 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.38 1sjg n THR 102 Cb 0.48 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 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 -0.76 2.89 0.00 -0.78 2.47 -0.88 -0.78 119.74 121.90 1sjg s LYS 103 Ca 0.00 0.18 0.00 0.00 -1.56 0.00 0.00 55.97 54.59 1sjg s LYS 103 Cb 0.00 -4.34 0.00 0.00 -1.46 0.00 0.00 37.83 32.03 1sjg s LYS 103 CO 0.00 -2.49 0.00 0.41 0.16 0.00 0.00 175.35 173.43 1sjg n GLY 104 N 5.62 1.21 3.25 5.54 0.00 -1.26 -4.01 105.19 115.54 1sjg n GLY 104 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 3.20 0.14 -0.61 1.01 0.04 -5.09 121.20 117.90 1sjg s ILE 105 Ca 0.00 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.61 1sjg s ILE 105 Cb 0.00 -2.62 -0.07 0.00 0.01 0.00 0.00 42.46 39.78 1sjg s ILE 105 CO 0.00 0.19 0.56 -0.76 0.00 0.00 0.00 174.94 174.94 1sjg s LEU 106 N 1.39 4.36 0.18 2.97 1.02 -1.26 -4.85 118.68 122.48 1sjg s LEU 106 Ca 0.01 1.12 -0.32 0.00 0.02 0.00 0.00 54.13 54.97 1sjg s LEU 106 Cb -0.16 -3.24 -0.12 0.00 0.02 0.00 0.00 46.19 42.68 1sjg s LEU 106 CO -0.03 0.12 1.76 -0.81 0.02 0.00 0.00 176.35 177.41 1sjg n PRO 107 N 0.91 2.78 -2.92 1.29 -0.04 -1.26 -4.94 135.00 130.82 1sjg n PRO 107 Ca -0.06 1.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.99 1sjg n PRO 107 Cb 0.52 -2.87 -0.04 0.00 -0.04 0.00 0.00 33.50 31.07 1sjg n PRO 107 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sjg s ASN 108 N 1.63 6.86 0.39 3.54 4.22 -1.26 -4.15 114.94 126.18 1sjg s ASN 108 Ca 0.77 1.07 0.00 0.00 -2.14 0.00 0.00 52.86 52.56 1sjg s ASN 108 Cb -0.50 -2.43 0.00 0.00 1.28 0.00 0.00 41.25 39.60 1sjg s ASN 108 CO 0.34 -0.43 0.00 1.17 -2.04 0.00 0.00 177.10 176.13 1sjg n LYS 109 N 5.55 -2.11 0.00 3.55 3.00 -1.26 -3.56 118.16 123.33 1sjg n LYS 109 Ca 0.04 1.72 0.00 0.00 -0.00 0.00 0.00 58.31 60.07 1sjg n LYS 109 Cb 0.48 -2.47 0.00 0.00 0.00 0.00 0.00 35.03 33.04 1sjg n LYS 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sjg n ALA 110 N -3.44 0.00 1.31 3.14 0.00 -1.26 -3.44 120.51 116.81 1sjg n ALA 110 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1sjg n ALA 110 Cb 0.43 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.33 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 0.00 0.00 -0.84 0.00 -0.00 -1.26 -4.91 115.22 108.21 1sjg n HIS 111 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1sjg n HIS 111 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 29.99 29.86 1sjg n HIS 111 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77