#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djm s SER 2 N 0.00 5.25 -0.04 0.00 1.04 -1.26 -5.07 113.70 113.62 2djm s SER 2 Ca 0.00 -0.61 -0.14 0.00 0.48 0.00 0.00 55.95 55.68 2djm s SER 2 Cb 0.00 -0.70 -0.08 0.00 0.10 0.00 0.00 66.02 65.34 2djm s SER 2 CO 0.00 -0.60 0.58 0.40 0.98 0.00 0.00 173.24 174.60 2djm h ILE 3 N 1.00 0.03 -3.66 -1.02 5.03 -2.03 -3.45 117.51 113.40 2djm h ILE 3 Ca -0.42 -0.65 -0.50 0.00 -0.12 0.00 0.00 64.86 63.16 2djm h ILE 3 Cb 1.27 0.05 -0.03 0.00 -3.03 0.00 0.00 36.82 35.08 2djm h ILE 3 CO 0.55 0.01 0.17 -2.16 -0.68 0.00 0.00 178.15 176.04 2djm s PRO 4 N -3.17 4.32 0.09 2.37 0.05 -1.26 -4.97 135.00 132.43 2djm s PRO 4 Ca -0.07 0.98 0.00 0.00 0.05 0.00 0.00 61.00 61.95 2djm s PRO 4 Cb 0.01 -2.83 0.00 0.00 0.05 0.00 0.00 34.50 31.73 2djm s PRO 4 CO 0.23 0.35 0.00 0.43 0.05 0.00 0.00 177.00 178.06 2djm n SER 5 N 0.62 0.28 -0.01 6.66 7.64 -1.26 -5.03 113.62 122.52 2djm n SER 5 Ca -0.01 0.15 -0.01 0.00 1.01 0.00 0.00 58.87 60.01 2djm n SER 5 Cb 0.51 -0.01 -0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2djm n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2djm n SER 6 N -3.14 0.23 -2.77 6.43 7.64 -1.26 -5.11 113.62 115.64 2djm n SER 6 Ca 0.00 0.04 -0.09 0.00 1.01 0.00 0.00 58.87 59.82 2djm n SER 6 Cb 0.15 -0.39 -0.02 0.00 -1.01 0.00 0.00 64.21 62.94 2djm n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2djm n ALA 7 N -2.73 0.13 0.25 -0.43 0.00 -1.26 -5.02 120.51 111.45 2djm n ALA 7 Ca -0.01 -0.67 0.10 0.00 0.00 0.00 0.00 53.44 52.86 2djm n ALA 7 Cb 0.05 0.37 0.63 0.00 0.00 0.00 0.00 19.45 20.50 2djm n ALA 7 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2djm h SER 8 N 0.36 0.00 -4.05 0.00 0.02 -1.97 -3.44 113.55 104.47 2djm h SER 8 Ca -0.12 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.15 2djm h SER 8 Cb 0.37 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.68 2djm h SER 8 CO 0.20 0.16 -0.87 0.54 -1.14 0.00 0.00 176.83 175.72 2djm s VAL 9 N -4.30 2.16 -0.06 2.27 0.11 -1.26 -1.67 120.40 117.65 2djm s VAL 9 Ca -0.03 -1.62 -0.03 0.00 -2.93 0.00 0.00 61.98 57.36 2djm s VAL 9 Cb 0.14 -1.90 0.03 0.00 -1.53 0.00 0.00 36.38 33.12 2djm s VAL 9 CO 0.63 0.16 0.15 -1.58 -3.33 0.00 0.00 175.10 171.12 2djm s GLN 10 N -1.80 0.11 0.12 1.54 0.74 0.90 -4.77 119.66 116.51 2djm s GLN 10 Ca 0.13 0.34 -0.31 0.00 0.05 0.00 0.00 55.36 55.57 2djm s GLN 10 Cb -0.10 -0.12 -0.08 0.00 1.10 0.00 0.00 33.01 33.81 2djm s GLN 10 CO 0.05 -0.13 1.34 -1.17 -0.55 0.00 0.00 175.29 174.83 2djm s LEU 11 N 0.94 4.38 -0.05 3.68 2.96 -1.26 -0.70 118.68 128.63 2djm s LEU 11 Ca -0.07 2.29 -0.04 0.00 -0.22 0.00 0.00 54.13 56.09 2djm s LEU 11 Cb -0.09 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 2djm s LEU 11 CO -0.05 -0.60 0.21 -0.78 -1.32 0.00 0.00 176.35 173.82 2djm h ASP 12 N 6.55 -0.11 -4.04 3.68 3.58 -1.83 -3.45 116.42 120.80 2djm h ASP 12 Ca -0.42 0.00 0.32 0.00 0.42 0.00 0.00 57.03 57.35 2djm h ASP 12 Cb 1.21 0.03 -0.21 0.00 1.72 0.00 0.00 39.33 42.08 2djm h ASP 12 CO 0.84 0.18 0.96 -0.44 -2.88 0.00 0.00 179.24 177.90 2djm s SER 13 N -4.34 -0.03 0.19 2.28 0.01 -1.12 -5.04 113.70 105.64 2djm s SER 13 Ca -0.02 0.00 -0.20 0.00 1.31 0.00 0.00 55.95 57.04 2djm s SER 13 Cb 0.00 0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.31 2djm s SER 13 CO 0.06 -0.05 0.58 -0.72 0.41 0.00 0.00 173.24 173.52 2djm s TYR 14 N -2.08 -0.30 0.18 2.43 1.13 -1.26 -1.03 117.35 116.42 2djm s TYR 14 Ca 0.11 -0.01 -0.13 0.00 -1.41 0.00 0.00 57.07 55.63 2djm s TYR 14 Cb -0.01 0.50 0.01 0.00 -1.10 0.00 0.00 41.96 41.36 2djm s TYR 14 CO -0.03 -0.93 0.39 1.21 -2.51 0.00 0.00 175.55 173.68 2djm s ASN 15 N -2.83 -0.10 -0.00 -0.18 2.47 0.27 -4.94 114.94 109.63 2djm s ASN 15 Ca 0.06 -0.69 0.00 0.00 0.42 0.00 0.00 52.86 52.65 2djm s ASN 15 Cb -0.02 0.50 0.00 0.00 -1.45 0.00 0.00 41.25 40.29 2djm s ASN 15 CO -0.06 -0.97 -0.01 -0.31 -3.72 0.00 0.00 177.10 172.04 2djm s TYR 16 N -3.92 0.13 -0.05 0.43 2.02 -1.25 -1.04 117.35 113.67 2djm s TYR 16 Ca 0.13 -0.01 -0.00 0.00 -0.37 0.00 0.00 57.07 56.82 2djm s TYR 16 Cb 0.01 -0.12 0.03 0.00 -0.40 0.00 0.00 41.96 41.48 2djm s TYR 16 CO -0.01 -0.02 0.00 0.16 -1.57 0.00 0.00 175.55 174.11 2djm s ASP 17 N 0.15 1.07 0.92 2.29 -4.77 -1.20 -4.90 116.67 110.23 2djm s ASP 17 Ca -0.01 -0.05 0.00 0.00 -3.30 0.00 0.00 52.55 49.18 2djm s ASP 17 Cb -0.03 -0.34 0.00 0.00 -1.09 0.00 0.00 42.92 41.46 2djm s ASP 17 CO -0.00 -0.15 0.00 0.61 0.70 0.00 0.00 175.17 176.33 2djm n GLY 18 N 4.67 0.33 2.45 2.12 0.00 -1.26 -2.33 105.19 111.17 2djm n GLY 18 Ca -0.16 0.63 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 2djm n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2djm s SER 19 N -4.00 2.63 -0.09 1.61 0.15 -1.26 -5.06 113.70 107.69 2djm s SER 19 Ca 0.00 -2.38 -0.06 0.00 0.70 0.00 0.00 55.95 54.22 2djm s SER 19 Cb 0.00 -0.41 0.04 0.00 -1.71 0.00 0.00 66.02 63.94 2djm s SER 19 CO 0.00 -0.28 0.22 -0.89 1.20 0.00 0.00 173.24 173.49 2djm s THR 20 N 0.85 -0.03 -0.16 6.45 2.01 -0.98 -3.86 115.64 119.92 2djm s THR 20 Ca 0.21 0.10 -0.19 0.00 0.31 0.00 0.00 61.69 62.12 2djm s THR 20 Cb -0.17 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 2djm s THR 20 CO -0.04 0.04 0.55 0.12 -0.69 0.00 0.00 174.62 174.61 2djm s PHE 21 N 0.87 3.44 -0.09 4.92 2.19 0.18 -3.24 117.98 126.25 2djm s PHE 21 Ca -0.06 0.90 -0.04 0.00 0.33 0.00 0.00 56.93 58.06 2djm s PHE 21 Cb -0.08 -2.68 0.05 0.00 -1.31 0.00 0.00 43.02 39.00 2djm s PHE 21 CO -0.05 -0.01 0.20 -1.54 1.83 0.00 0.00 175.22 175.64 2djm s SER 22 N 0.96 0.11 0.00 6.13 1.04 -0.21 0.92 113.70 122.65 2djm s SER 22 Ca 0.27 0.42 0.00 0.00 0.48 0.00 0.00 55.95 57.12 2djm s SER 22 Cb -0.16 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2djm s SER 22 CO 0.11 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2djm n GLY 23 N 4.65 -0.64 3.68 7.32 0.00 -1.08 0.96 105.19 120.07 2djm n GLY 23 Ca -0.18 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.20 2djm n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2djm s LYS 24 N -0.63 1.44 0.15 1.61 0.00 -0.20 -2.46 119.74 119.66 2djm s LYS 24 Ca 0.00 -0.71 0.07 0.00 0.00 0.00 0.00 55.97 55.33 2djm s LYS 24 Cb 0.00 0.55 -0.04 0.00 0.00 0.00 0.00 37.83 38.34 2djm s LYS 24 CO 0.00 -0.65 -0.15 0.42 0.00 0.00 0.00 175.35 174.97 2djm s ILE 25 N -3.68 1.54 -0.37 3.79 1.01 0.33 -2.81 121.20 121.00 2djm s ILE 25 Ca 0.08 -1.88 0.02 0.00 0.00 0.00 0.00 60.65 58.86 2djm s ILE 25 Cb -0.03 -1.73 0.11 0.00 0.01 0.00 0.00 42.46 40.82 2djm s ILE 25 CO -0.01 -0.44 0.14 -0.47 0.00 0.00 0.00 174.94 174.16 2djm s TYR 26 N -2.33 2.49 -0.07 3.97 6.14 0.12 -1.21 117.35 126.45 2djm s TYR 26 Ca 0.14 -2.41 -0.11 0.00 0.64 0.00 0.00 57.07 55.33 2djm s TYR 26 Cb -0.04 -2.20 0.02 0.00 0.42 0.00 0.00 41.96 40.16 2djm s TYR 26 CO 0.05 -0.86 0.27 0.54 0.64 0.00 0.00 175.55 176.19 2djm s VAL 27 N 0.90 0.02 0.31 3.14 0.11 -1.08 -0.07 120.40 123.73 2djm s VAL 27 Ca 0.13 -0.18 -0.17 0.00 -2.93 0.00 0.00 61.98 58.83 2djm s VAL 27 Cb -0.21 -0.45 -0.09 0.00 -1.53 0.00 0.00 36.38 34.10 2djm s VAL 27 CO -0.11 -0.10 0.76 -1.59 -3.33 0.00 0.00 175.10 170.73 2djm s LYS 28 N -0.33 4.10 -0.02 1.54 -2.85 -0.67 -0.47 119.74 121.04 2djm s LYS 28 Ca -0.05 0.78 -0.23 0.00 -1.00 0.00 0.00 55.97 55.48 2djm s LYS 28 Cb -0.03 -2.53 -0.05 0.00 -2.06 0.00 0.00 37.83 33.16 2djm s LYS 28 CO 0.01 0.20 0.69 0.54 0.10 0.00 0.00 175.35 176.90 2djm s ASN 29 N -2.09 7.05 -0.12 0.03 2.20 -1.26 -4.83 114.94 115.92 2djm s ASN 29 Ca 0.52 1.26 -0.14 0.00 -0.94 0.00 0.00 52.86 53.56 2djm s ASN 29 Cb -0.12 -2.42 -0.12 0.00 -2.00 0.00 0.00 41.25 36.59 2djm s ASN 29 CO 0.18 -0.02 0.35 0.40 -2.94 0.00 0.00 177.10 175.07 2djm h ILE 30 N 4.41 0.84 0.00 0.54 1.08 -1.99 -3.46 117.51 118.93 2djm h ILE 30 Ca -0.43 -1.63 0.00 0.00 -0.39 0.00 0.00 64.86 62.41 2djm h ILE 30 Cb 1.20 1.59 0.00 0.00 -3.07 0.00 0.00 36.82 36.54 2djm h ILE 30 CO 0.73 0.28 0.00 0.00 -0.69 0.00 0.00 178.15 178.47 2djm n ALA 31 N -2.73 0.36 -0.33 1.87 0.00 -1.26 -5.11 120.51 113.32 2djm n ALA 31 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2djm n ALA 31 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2djm n ALA 31 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2djm n TYR 32 N -1.24 -1.63 -2.47 0.00 9.36 -1.26 -5.00 117.16 114.93 2djm n TYR 32 Ca 0.00 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.81 2djm n TYR 32 Cb 0.00 0.34 0.01 0.00 -0.63 0.00 0.00 39.34 39.06 2djm n TYR 32 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2djm n SER 33 N -2.01 7.18 -4.86 2.98 2.88 -1.26 -4.97 113.62 113.55 2djm n SER 33 Ca 0.00 -3.41 -0.31 0.00 -1.33 0.00 0.00 58.87 53.81 2djm n SER 33 Cb 0.00 -1.28 -0.01 0.00 -0.75 0.00 0.00 64.21 62.17 2djm n SER 33 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2djm s LYS 34 N -2.60 3.77 0.00 -1.46 -0.14 -1.26 -4.97 119.74 113.08 2djm s LYS 34 Ca 0.42 0.81 0.06 0.00 -1.36 0.00 0.00 55.97 55.90 2djm s LYS 34 Cb 0.15 -2.14 -0.02 0.00 -1.68 0.00 0.00 37.83 34.15 2djm s LYS 34 CO -0.06 -0.38 -0.20 -1.59 -0.76 0.00 0.00 175.35 172.35 2djm s LYS 35 N -4.57 1.54 -0.23 1.68 -2.85 -0.75 -5.02 119.74 109.54 2djm s LYS 35 Ca 0.56 -0.77 -0.01 0.00 -1.00 0.00 0.00 55.97 54.75 2djm s LYS 35 Cb -0.10 -1.53 0.02 0.00 -2.06 0.00 0.00 37.83 34.16 2djm s LYS 35 CO 0.42 0.41 -0.08 0.08 0.10 0.00 0.00 175.35 176.27 2djm s VAL 36 N -0.56 2.78 -0.21 1.79 1.01 -1.26 -0.61 120.40 123.34 2djm s VAL 36 Ca 0.07 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 2djm s VAL 36 Cb -0.08 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.94 2djm s VAL 36 CO -0.00 0.28 -0.08 0.42 0.00 0.00 0.00 175.10 175.72 2djm s THR 37 N 1.33 3.01 -0.38 3.92 -4.23 -0.82 -1.40 115.64 117.07 2djm s THR 37 Ca 0.02 -0.66 -0.26 0.00 -1.18 0.00 0.00 61.69 59.61 2djm s THR 37 Cb -0.16 -2.37 0.02 0.00 1.34 0.00 0.00 72.50 71.33 2djm s THR 37 CO -0.06 0.42 0.93 -0.69 -0.54 0.00 0.00 174.62 174.68 2djm s VAL 38 N 1.42 4.56 -0.39 2.29 1.01 -0.02 -0.73 120.40 128.54 2djm s VAL 38 Ca 0.05 1.12 -0.08 0.00 0.00 0.00 0.00 61.98 63.07 2djm s VAL 38 Cb -0.14 -4.35 0.06 0.00 0.00 0.00 0.00 36.38 31.95 2djm s VAL 38 CO -0.06 -0.59 0.20 0.68 0.00 0.00 0.00 175.10 175.33 2djm s VAL 39 N 3.53 4.09 -0.09 2.92 -7.23 -1.12 -0.49 120.40 122.00 2djm s VAL 39 Ca 0.38 -1.26 -0.01 0.00 -1.81 0.00 0.00 61.98 59.28 2djm s VAL 39 Cb -0.12 -3.42 -0.03 0.00 0.56 0.00 0.00 36.38 33.37 2djm s VAL 39 CO 0.20 -0.37 -0.04 -0.72 -0.31 0.00 0.00 175.10 173.86 2djm s TYR 40 N 1.42 3.01 -0.43 2.82 -0.85 -0.91 -2.49 117.35 119.92 2djm s TYR 40 Ca 0.02 -0.01 -0.22 0.00 -0.52 0.00 0.00 57.07 56.33 2djm s TYR 40 Cb -0.21 -1.79 0.02 0.00 0.38 0.00 0.00 41.96 40.36 2djm s TYR 40 CO 0.03 0.28 0.74 0.00 -1.52 0.00 0.00 175.55 175.07 2djm s ALA 41 N -0.55 3.33 1.00 9.51 0.00 0.19 -4.76 121.76 130.47 2djm s ALA 41 Ca 0.09 -1.02 -0.24 0.00 0.00 0.00 0.00 51.96 50.78 2djm s ALA 41 Cb -0.12 -3.40 -0.17 0.00 0.00 0.00 0.00 23.12 19.43 2djm s ALA 41 CO 0.02 -1.82 -1.27 -3.47 0.00 0.00 0.00 175.76 169.22 2djm n ASP 42 N 6.53 -3.76 0.00 0.00 -0.08 -1.26 -2.49 116.55 115.49 2djm n ASP 42 Ca 0.01 0.05 0.05 0.00 -1.51 0.00 0.00 54.79 53.39 2djm n ASP 42 Cb 0.48 -0.60 0.30 0.00 2.34 0.00 0.00 41.12 43.65 2djm n ASP 42 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2djm n GLY 43 N 3.41 -0.38 0.04 0.27 0.00 0.91 -1.19 105.19 108.24 2djm n GLY 43 Ca -0.02 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.06 2djm n GLY 43 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2djm n SER 44 N -0.92 0.56 -1.66 1.61 2.88 -1.26 -4.81 113.62 110.03 2djm n SER 44 Ca 0.08 0.07 -0.05 0.00 -1.33 0.00 0.00 58.87 57.63 2djm n SER 44 Cb 0.04 0.06 0.03 0.00 -0.75 0.00 0.00 64.21 63.58 2djm n SER 44 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2djm n ASP 45 N -1.85 -2.17 -3.68 -3.46 9.92 -0.33 -5.05 116.55 109.93 2djm n ASP 45 Ca 0.05 -0.17 -0.11 0.00 -0.53 0.00 0.00 54.79 54.02 2djm n ASP 45 Cb 0.39 -1.82 -0.09 0.00 -0.64 0.00 0.00 41.12 38.96 2djm n ASP 45 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2djm s ASN 46 N -3.35 -0.66 -0.87 -2.24 2.47 -1.26 -5.08 114.94 103.96 2djm s ASN 46 Ca 0.02 1.16 -0.08 0.00 0.42 0.00 0.00 52.86 54.38 2djm s ASN 46 Cb -0.01 1.10 0.22 0.00 -1.45 0.00 0.00 41.25 41.11 2djm s ASN 46 CO 0.21 -0.21 0.78 0.26 -3.72 0.00 0.00 177.10 174.42 2djm s TRP 47 N 0.99 3.83 0.42 0.43 0.51 -1.26 -4.41 118.94 119.45 2djm s TRP 47 Ca -0.06 -2.54 -0.24 0.00 -2.12 0.00 0.00 56.10 51.14 2djm s TRP 47 Cb -0.06 -3.56 -0.08 0.00 -0.81 0.00 0.00 33.47 28.96 2djm s TRP 47 CO -0.09 -0.89 1.13 1.21 -0.51 0.00 0.00 176.95 177.80 2djm s ASN 48 N 1.13 6.49 -0.79 2.95 2.47 -1.26 -4.88 114.94 121.05 2djm s ASN 48 Ca 0.23 2.23 -0.26 0.00 0.42 0.00 0.00 52.86 55.48 2djm s ASN 48 Cb -0.12 -2.60 -0.12 0.00 -1.45 0.00 0.00 41.25 36.96 2djm s ASN 48 CO -0.08 -0.69 2.34 0.21 -3.72 0.00 0.00 177.10 175.15 2djm s ASN 49 N -1.35 4.11 -0.06 -4.21 3.84 -1.26 -4.82 114.94 111.19 2djm s ASN 49 Ca 0.59 0.01 -0.18 0.00 0.21 0.00 0.00 52.86 53.50 2djm s ASN 49 Cb -0.27 -2.55 0.04 0.00 -0.55 0.00 0.00 41.25 37.92 2djm s ASN 49 CO 0.34 -3.64 0.41 0.21 -2.79 0.00 0.00 177.10 171.63 2djm s ASN 50 N 10.52 -0.35 -1.44 -4.21 2.47 -1.26 -5.06 114.94 115.61 2djm s ASN 50 Ca 0.89 0.43 -0.08 0.00 0.42 0.00 0.00 52.86 54.52 2djm s ASN 50 Cb -0.12 0.52 -0.01 0.00 -1.45 0.00 0.00 41.25 40.18 2djm s ASN 50 CO 0.08 -0.39 2.77 0.61 -3.72 0.00 0.00 177.10 176.45 2djm n GLY 51 N 1.66 4.57 2.48 1.21 0.00 -1.26 -4.75 105.19 109.09 2djm n GLY 51 Ca -0.19 -1.70 -0.17 0.00 0.00 0.00 0.00 46.02 43.96 2djm n GLY 51 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2djm n ASN 52 N 2.80 4.33 -4.43 1.61 3.02 -1.26 -4.84 115.26 116.49 2djm n ASN 52 Ca 0.71 -2.24 -0.32 0.00 -0.03 0.00 0.00 54.58 52.71 2djm n ASN 52 Cb 0.27 -1.01 -0.14 0.00 -0.61 0.00 0.00 39.78 38.29 2djm n ASN 52 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2djm s ILE 53 N 2.89 2.72 -0.09 2.41 -1.16 -1.25 -2.15 121.20 124.56 2djm s ILE 53 Ca 0.39 -0.93 0.04 0.00 -0.51 0.00 0.00 60.65 59.64 2djm s ILE 53 Cb 0.13 -2.05 0.00 0.00 0.61 0.00 0.00 42.46 41.15 2djm s ILE 53 CO -0.02 0.53 -0.22 -0.51 -2.81 0.00 0.00 174.94 171.91 2djm s ILE 54 N -0.74 1.87 -0.08 2.00 1.10 0.36 -4.94 121.20 120.77 2djm s ILE 54 Ca 0.12 -0.91 -0.24 0.00 -0.51 0.00 0.00 60.65 59.10 2djm s ILE 54 Cb -0.10 -1.63 -0.03 0.00 0.15 0.00 0.00 42.46 40.85 2djm s ILE 54 CO 0.01 0.52 0.75 0.00 -2.11 0.00 0.00 174.94 174.11 2djm s ALA 55 N 0.38 3.36 0.61 1.50 0.00 -1.26 -0.84 121.76 125.50 2djm s ALA 55 Ca -0.17 0.14 -0.13 0.00 0.00 0.00 0.00 51.96 51.80 2djm s ALA 55 Cb -0.17 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 2djm s ALA 55 CO 0.08 -0.23 1.03 0.00 0.00 0.00 0.00 175.76 176.64 2djm s ALA 56 N 1.09 3.00 -0.15 0.00 0.00 -0.49 -4.97 121.76 120.24 2djm s ALA 56 Ca 0.39 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.39 2djm s ALA 56 Cb -0.18 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 19.84 2djm s ALA 56 CO 0.18 -0.68 -0.17 0.45 0.00 0.00 0.00 175.76 175.53 2djm s SER 57 N -3.76 2.83 0.16 0.00 0.15 -1.07 -4.69 113.70 107.32 2djm s SER 57 Ca 0.57 -0.54 -0.27 0.00 0.70 0.00 0.00 55.95 56.41 2djm s SER 57 Cb -0.12 -1.29 -0.08 0.00 -1.71 0.00 0.00 66.02 62.83 2djm s SER 57 CO 0.48 -0.00 0.85 0.72 1.20 0.00 0.00 173.24 176.48 2djm s PHE 58 N 1.22 3.89 -0.22 3.44 -0.12 -1.26 0.42 117.98 125.35 2djm s PHE 58 Ca 0.01 1.72 -0.03 0.00 -0.05 0.00 0.00 56.93 58.58 2djm s PHE 58 Cb -0.14 -2.88 -0.19 0.00 -0.63 0.00 0.00 43.02 39.18 2djm s PHE 58 CO -0.08 0.41 -0.07 0.43 -0.05 0.00 0.00 175.22 175.87 2djm n SER 59 N 1.94 2.01 0.00 1.98 7.64 0.13 -4.88 113.62 122.45 2djm n SER 59 Ca -0.03 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2djm n SER 59 Cb 0.48 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2djm n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djm n GLY 60 N 2.06 2.08 3.68 0.23 0.00 -0.85 -4.92 105.19 107.48 2djm n GLY 60 Ca -0.43 -0.76 -0.51 0.00 0.00 0.00 0.00 46.02 44.33 2djm n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djm n PRO 61 N 0.00 1.85 -3.85 1.61 -0.04 -1.26 -0.85 135.00 132.46 2djm n PRO 61 Ca 0.00 0.68 -0.30 0.00 -0.04 0.00 0.00 63.50 63.84 2djm n PRO 61 Cb 0.00 -2.49 -0.14 0.00 -0.04 0.00 0.00 33.50 30.83 2djm n PRO 61 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2djm s ILE 62 N 4.08 2.08 -0.17 0.52 1.01 -1.18 -4.65 121.20 122.89 2djm s ILE 62 Ca 0.95 -2.94 -0.29 0.00 0.00 0.00 0.00 60.65 58.36 2djm s ILE 62 Cb -0.80 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 2djm s ILE 62 CO 0.56 -0.83 1.47 -0.44 0.00 0.00 0.00 174.94 175.71 2djm s SER 63 N 0.05 6.67 0.00 3.58 0.01 -1.26 -2.83 113.70 119.92 2djm s SER 63 Ca 0.17 1.74 0.00 0.00 1.31 0.00 0.00 55.95 59.17 2djm s SER 63 Cb -0.25 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.44 2djm s SER 63 CO -0.01 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.26 2djm n GLY 64 N 4.15 1.32 3.60 3.44 0.00 -1.26 -5.10 105.19 111.34 2djm n GLY 64 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 2djm n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djm s SER 65 N -1.13 -0.22 -1.24 1.61 0.01 -1.13 -5.06 113.70 106.54 2djm s SER 65 Ca 0.00 -0.62 -0.07 0.00 1.31 0.00 0.00 55.95 56.58 2djm s SER 65 Cb 0.00 0.61 0.19 0.00 0.21 0.00 0.00 66.02 67.03 2djm s SER 65 CO 0.00 -1.13 1.96 -3.20 0.41 0.00 0.00 173.24 171.28 2djm n ASN 66 N -0.37 6.33 -4.08 2.44 2.85 -1.26 -4.72 115.26 116.44 2djm n ASN 66 Ca -0.07 -3.21 -0.12 0.00 -0.11 0.00 0.00 54.58 51.07 2djm n ASN 66 Cb 0.62 -1.39 -0.11 0.00 1.24 0.00 0.00 39.78 40.14 2djm n ASN 66 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 2djm s TYR 67 N -0.93 0.68 0.49 1.20 1.51 -1.26 -4.63 117.35 114.42 2djm s TYR 67 Ca 0.42 -0.64 0.07 0.00 -1.01 0.00 0.00 57.07 55.91 2djm s TYR 67 Cb 0.12 -0.41 0.02 0.00 -0.11 0.00 0.00 41.96 41.58 2djm s TYR 67 CO -0.02 -0.13 0.47 -1.21 -1.11 0.00 0.00 175.55 173.56 2djm s GLU 68 N -2.28 2.40 -0.11 -0.62 8.01 0.38 -3.07 118.70 123.40 2djm s GLU 68 Ca -0.04 -1.73 -0.03 0.00 0.01 0.00 0.00 54.97 53.19 2djm s GLU 68 Cb -0.05 -2.34 0.04 0.00 -4.31 0.00 0.00 34.13 27.47 2djm s GLU 68 CO -0.02 -0.48 0.04 -0.47 0.01 0.00 0.00 175.26 174.35 2djm s TYR 69 N -2.62 0.47 -0.18 1.61 5.04 -0.03 -2.63 117.35 119.01 2djm s TYR 69 Ca 0.46 -0.22 -0.01 0.00 -2.44 0.00 0.00 57.07 54.86 2djm s TYR 69 Cb -0.03 -0.74 0.00 0.00 0.35 0.00 0.00 41.96 41.54 2djm s TYR 69 CO 0.28 -0.39 -0.13 -1.58 -1.34 0.00 0.00 175.55 172.38 2djm s TRP 70 N 2.04 2.84 0.06 4.97 0.52 -0.35 0.23 118.94 129.24 2djm s TRP 70 Ca 0.03 -1.21 0.06 0.00 0.02 0.00 0.00 56.10 55.00 2djm s TRP 70 Cb -0.14 -1.97 -0.03 0.00 -1.15 0.00 0.00 33.47 30.18 2djm s TRP 70 CO -0.06 -0.61 -0.16 0.95 0.02 0.00 0.00 176.95 177.09 2djm s THR 71 N 1.19 1.26 -0.18 2.01 -4.23 0.17 0.12 115.64 115.98 2djm s THR 71 Ca 0.02 -1.21 -0.35 0.00 -1.18 0.00 0.00 61.69 58.98 2djm s THR 71 Cb -0.14 -1.16 0.14 0.00 1.34 0.00 0.00 72.50 72.68 2djm s THR 71 CO -0.06 -0.06 1.18 0.72 -0.54 0.00 0.00 174.62 175.87 2djm s PHE 72 N -1.04 -0.15 0.06 3.99 -0.71 -1.03 -2.60 117.98 116.51 2djm s PHE 72 Ca 0.02 0.10 0.07 0.00 -1.04 0.00 0.00 56.93 56.07 2djm s PHE 72 Cb -0.09 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.20 2djm s PHE 72 CO 0.02 -0.23 -0.16 -1.12 -1.34 0.00 0.00 175.22 172.39 2djm s SER 73 N -2.17 3.97 -0.03 1.98 0.01 -1.26 -2.62 113.70 113.59 2djm s SER 73 Ca 0.09 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2djm s SER 73 Cb -0.01 -0.68 0.03 0.00 0.21 0.00 0.00 66.02 65.57 2djm s SER 73 CO -0.05 0.24 0.02 0.00 0.41 0.00 0.00 173.24 173.85 2djm s ALA 74 N -1.00 0.23 -0.70 1.44 0.00 0.26 -4.99 121.76 116.99 2djm s ALA 74 Ca 0.16 0.22 -0.26 0.00 0.00 0.00 0.00 51.96 52.08 2djm s ALA 74 Cb -0.11 -0.33 0.04 0.00 0.00 0.00 0.00 23.12 22.72 2djm s ALA 74 CO 0.07 -0.13 1.20 0.45 0.00 0.00 0.00 175.76 177.35 2djm s SER 75 N 1.16 6.20 0.12 0.00 0.15 -1.26 0.52 113.70 120.59 2djm s SER 75 Ca -0.08 -0.49 -0.01 0.00 0.70 0.00 0.00 55.95 56.08 2djm s SER 75 Cb -0.13 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 2djm s SER 75 CO -0.02 -1.70 0.30 0.68 1.20 0.00 0.00 173.24 173.69 2djm s VAL 76 N 5.27 5.29 -1.74 4.45 -7.23 -1.25 -4.93 120.40 120.26 2djm s VAL 76 Ca 0.33 -0.35 0.21 0.00 -1.81 0.00 0.00 61.98 60.37 2djm s VAL 76 Cb -0.10 -3.67 0.67 0.00 0.56 0.00 0.00 36.38 33.84 2djm s VAL 76 CO 0.15 0.01 1.56 0.29 -0.31 0.00 0.00 175.10 176.80 2djm n LYS 77 N -0.11 3.00 0.00 4.82 4.01 -1.26 -4.49 118.16 124.13 2djm n LYS 77 Ca -0.05 -2.68 0.00 0.00 -0.51 0.00 0.00 58.31 55.07 2djm n LYS 77 Cb 0.52 -1.67 0.00 0.00 -0.51 0.00 0.00 35.03 33.38 2djm n LYS 77 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2djm n GLY 78 N 1.50 2.51 3.55 0.72 0.00 -1.26 -4.90 105.19 107.31 2djm n GLY 78 Ca 0.25 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 2djm n GLY 78 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2djm s ILE 79 N 0.00 3.04 0.00 -0.61 2.07 -1.26 -0.06 121.20 124.37 2djm s ILE 79 Ca 0.00 -1.87 0.00 0.00 -1.41 0.00 0.00 60.65 57.37 2djm s ILE 79 Cb 0.00 -2.54 0.00 0.00 0.13 0.00 0.00 42.46 40.05 2djm s ILE 79 CO 0.00 -0.21 0.00 1.17 -1.91 0.00 0.00 174.94 173.99 2djm n LYS 80 N -0.23 0.00 -3.82 3.50 3.00 -1.04 -4.48 118.16 115.10 2djm n LYS 80 Ca -0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.12 2djm n LYS 80 Cb 0.57 -0.22 -0.08 0.00 0.00 0.00 0.00 35.03 35.31 2djm n LYS 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2djm s GLU 81 N -1.59 0.79 0.10 1.64 -1.05 -1.10 -0.16 118.70 117.33 2djm s GLU 81 Ca 0.00 -0.72 -0.25 0.00 -0.15 0.00 0.00 54.97 53.85 2djm s GLU 81 Cb 0.00 0.33 0.08 0.00 -0.44 0.00 0.00 34.13 34.10 2djm s GLU 81 CO 0.00 -0.25 1.14 -0.59 0.95 0.00 0.00 175.26 176.52 2djm s PHE 82 N -3.07 0.05 -0.02 4.83 -0.71 -1.02 0.54 117.98 118.59 2djm s PHE 82 Ca -0.01 -0.34 -0.16 0.00 -1.04 0.00 0.00 56.93 55.38 2djm s PHE 82 Cb 0.01 0.64 0.03 0.00 -1.21 0.00 0.00 43.02 42.49 2djm s PHE 82 CO -0.07 -0.65 0.34 1.52 -1.34 0.00 0.00 175.22 175.03 2djm s TYR 83 N -2.09 -0.22 -0.18 3.49 -0.85 -1.04 -0.58 117.35 115.88 2djm s TYR 83 Ca 0.25 0.35 -0.08 0.00 -0.52 0.00 0.00 57.07 57.07 2djm s TYR 83 Cb -0.02 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.40 2djm s TYR 83 CO 0.03 -0.41 0.08 0.42 -1.52 0.00 0.00 175.55 174.15 2djm s ILE 84 N -1.29 4.99 0.08 -3.49 -1.09 -0.17 -2.81 121.20 117.42 2djm s ILE 84 Ca -0.13 0.04 -0.06 0.00 -2.23 0.00 0.00 60.65 58.27 2djm s ILE 84 Cb -0.05 -3.25 -0.05 0.00 -1.58 0.00 0.00 42.46 37.53 2djm s ILE 84 CO 0.05 0.47 0.33 -0.54 -1.23 0.00 0.00 174.94 174.01 2djm s LYS 85 N 0.25 3.61 -0.43 2.79 1.02 0.09 0.62 119.74 127.69 2djm s LYS 85 Ca 0.05 -0.08 -0.06 0.00 0.02 0.00 0.00 55.97 55.90 2djm s LYS 85 Cb -0.12 -2.96 0.11 0.00 -0.52 0.00 0.00 37.83 34.33 2djm s LYS 85 CO -0.00 0.55 0.26 -0.47 -0.92 0.00 0.00 175.35 174.77 2djm s TYR 86 N -1.49 3.48 -0.41 3.18 5.04 -0.75 -1.95 117.35 124.44 2djm s TYR 86 Ca 0.35 -2.06 -0.12 0.00 -2.44 0.00 0.00 57.07 52.80 2djm s TYR 86 Cb -0.13 -3.24 0.05 0.00 0.35 0.00 0.00 41.96 39.00 2djm s TYR 86 CO 0.21 -0.95 0.26 -2.00 -1.34 0.00 0.00 175.55 171.73 2djm s GLU 87 N 1.27 2.80 0.30 4.97 2.12 0.22 -2.01 118.70 128.37 2djm s GLU 87 Ca 0.06 -1.23 0.08 0.00 0.36 0.00 0.00 54.97 54.24 2djm s GLU 87 Cb -0.24 -3.84 -0.04 0.00 0.26 0.00 0.00 34.13 30.27 2djm s GLU 87 CO -0.02 -0.83 0.11 0.08 -0.54 0.00 0.00 175.26 174.06 2djm s VAL 88 N 1.55 3.49 -0.46 3.70 1.01 0.67 -1.80 120.40 128.56 2djm s VAL 88 Ca 0.03 -1.70 0.24 0.00 0.00 0.00 0.00 61.98 60.55 2djm s VAL 88 Cb -0.21 -3.02 0.26 0.00 0.00 0.00 0.00 36.38 33.40 2djm s VAL 88 CO 0.06 -0.29 1.73 -1.20 0.00 0.00 0.00 175.10 175.40 2djm n SER 89 N -1.08 0.71 0.00 3.32 7.64 -1.26 -3.28 113.62 119.67 2djm n SER 89 Ca -0.05 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.50 2djm n SER 89 Cb 0.60 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2djm n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djm n GLY 90 N 0.03 0.63 3.13 0.23 0.00 -1.26 -5.11 105.19 102.85 2djm n GLY 90 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 2djm n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2djm s LYS 91 N -0.08 0.71 -0.08 1.61 -0.14 -1.21 -5.16 119.74 115.38 2djm s LYS 91 Ca 0.00 -1.16 -0.12 0.00 -1.36 0.00 0.00 55.97 53.33 2djm s LYS 91 Cb 0.00 0.25 0.03 0.00 -1.68 0.00 0.00 37.83 36.43 2djm s LYS 91 CO 0.00 -0.17 0.31 0.99 -0.76 0.00 0.00 175.35 175.72 2djm s THR 92 N -3.91 0.02 0.08 2.17 2.01 -1.26 -0.24 115.64 114.51 2djm s THR 92 Ca 0.08 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 61.91 2djm s THR 92 Cb 0.07 -0.50 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 2djm s THR 92 CO -0.09 -0.10 0.05 -1.22 -0.69 0.00 0.00 174.62 172.57 2djm n TYR 93 N 2.33 -0.12 -3.70 4.92 4.01 -0.85 -4.97 117.16 118.77 2djm n TYR 93 Ca -0.16 -0.59 -0.12 0.00 -0.16 0.00 0.00 57.90 56.87 2djm n TYR 93 Cb 0.57 0.05 -0.12 0.00 -0.31 0.00 0.00 39.34 39.52 2djm n TYR 93 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2djm s TYR 94 N -2.18 -0.44 -0.78 -0.72 2.02 -1.26 -1.82 117.35 112.17 2djm s TYR 94 Ca 0.08 0.98 -0.18 0.00 -0.37 0.00 0.00 57.07 57.58 2djm s TYR 94 Cb 0.00 0.09 0.14 0.00 -0.40 0.00 0.00 41.96 41.79 2djm s TYR 94 CO 0.05 -0.30 0.90 0.34 -1.57 0.00 0.00 175.55 174.98 2djm s ASP 95 N 1.64 6.48 -0.30 2.29 2.15 0.20 -4.89 116.67 124.24 2djm s ASP 95 Ca -0.06 -1.90 0.13 0.00 0.43 0.00 0.00 52.55 51.14 2djm s ASP 95 Cb -0.10 -2.33 0.47 0.00 -0.30 0.00 0.00 42.92 40.66 2djm s ASP 95 CO -0.10 -1.01 1.14 -0.46 -0.17 0.00 0.00 175.17 174.57 2djm n ASN 96 N 6.03 3.53 0.00 -0.34 6.94 -1.26 -1.00 115.26 129.17 2djm n ASN 96 Ca 0.09 -3.09 0.00 0.00 -0.02 0.00 0.00 54.58 51.56 2djm n ASN 96 Cb 0.46 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 2djm n ASN 96 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2djm n ASN 97 N -0.60 0.00 0.00 0.53 6.94 -1.26 -0.85 115.26 120.01 2djm n ASN 97 Ca 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.85 2djm n ASN 97 Cb 0.87 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.29 2djm n ASN 97 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2djm n ASN 98 N 0.80 0.00 -0.84 0.53 2.85 -1.26 -4.93 115.26 112.42 2djm n ASN 98 Ca 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.42 2djm n ASN 98 Cb 0.00 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 2djm n ASN 98 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2djm n SER 99 N 0.00 -0.69 0.00 1.20 7.64 -1.12 -5.08 113.62 115.58 2djm n SER 99 Ca 0.00 -1.67 0.00 0.00 1.01 0.00 0.00 58.87 58.21 2djm n SER 99 Cb 0.00 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2djm n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2djm n ALA 100 N 0.00 0.79 -3.61 -0.43 0.00 -0.03 -5.10 120.51 112.13 2djm n ALA 100 Ca -0.19 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.19 2djm n ALA 100 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 2djm n ALA 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2djm s ASN 101 N 1.00 -0.19 0.09 0.00 6.03 -1.08 -4.84 114.94 115.95 2djm s ASN 101 Ca 0.00 0.20 -0.19 0.00 -1.03 0.00 0.00 52.86 51.84 2djm s ASN 101 Cb 0.00 0.16 -0.07 0.00 -3.03 0.00 0.00 41.25 38.31 2djm s ASN 101 CO 0.00 -0.18 0.58 -0.31 -2.03 0.00 0.00 177.10 175.16 2djm s TYR 102 N -1.13 3.78 -0.27 1.54 2.02 0.26 -4.71 117.35 118.85 2djm s TYR 102 Ca 0.04 1.27 -0.13 0.00 -0.37 0.00 0.00 57.07 57.88 2djm s TYR 102 Cb -0.01 -2.50 -0.04 0.00 -0.40 0.00 0.00 41.96 39.01 2djm s TYR 102 CO -0.04 0.56 0.30 -0.65 -1.57 0.00 0.00 175.55 174.15 2djm s GLN 103 N -1.25 4.00 -0.11 -0.62 1.11 -1.26 -2.43 119.66 119.10 2djm s GLN 103 Ca 0.31 -0.09 -0.26 0.00 0.01 0.00 0.00 55.36 55.33 2djm s GLN 103 Cb -0.19 -3.65 -0.02 0.00 -1.01 0.00 0.00 33.01 28.14 2djm s GLN 103 CO 0.19 -0.22 0.85 0.08 0.01 0.00 0.00 175.29 176.21 2djm s VAL 104 N 1.89 4.90 -1.34 1.09 1.01 0.78 -4.97 120.40 123.77 2djm s VAL 104 Ca 0.12 1.72 -0.09 0.00 0.00 0.00 0.00 61.98 63.73 2djm s VAL 104 Cb -0.16 -4.17 0.12 0.00 0.00 0.00 0.00 36.38 32.17 2djm s VAL 104 CO 0.10 0.09 2.10 -1.54 0.00 0.00 0.00 175.10 175.85 2djm n SER 105 N 4.68 5.78 -0.25 3.32 3.41 -1.26 -4.87 113.62 124.43 2djm n SER 105 Ca 0.04 -3.05 0.15 0.00 -0.26 0.00 0.00 58.87 55.75 2djm n SER 105 Cb 0.50 -1.48 0.73 0.00 -0.26 0.00 0.00 64.21 63.70 2djm n SER 105 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23