#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djm n SER 2 N 0.00 -0.82 0.27 0.00 2.88 -1.26 -5.07 113.62 109.62 2djm n SER 2 Ca 0.00 -2.28 -0.16 0.00 -1.33 0.00 0.00 58.87 55.10 2djm n SER 2 Cb 0.00 1.57 -0.08 0.00 -0.75 0.00 0.00 64.21 64.95 2djm n SER 2 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2djm h ILE 3 N 1.67 0.30 -3.12 2.46 5.03 -2.00 -3.40 117.51 118.46 2djm h ILE 3 Ca -0.17 0.00 -0.60 0.00 -0.12 0.00 0.00 64.86 63.97 2djm h ILE 3 Cb 0.78 0.30 -0.06 0.00 -3.03 0.00 0.00 36.82 34.81 2djm h ILE 3 CO 0.24 0.00 -0.18 -2.16 -0.68 0.00 0.00 178.15 175.37 2djm s PRO 4 N -6.02 4.05 0.12 2.37 0.04 -1.26 -4.52 135.00 129.78 2djm s PRO 4 Ca -0.17 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.30 2djm s PRO 4 Cb 0.05 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2djm s PRO 4 CO 0.63 0.55 0.00 0.45 0.04 0.00 0.00 177.00 178.67 2djm n SER 5 N 2.31 -0.46 -0.08 6.66 2.88 -1.26 -4.94 113.62 118.73 2djm n SER 5 Ca -0.12 0.21 -0.09 0.00 -1.33 0.00 0.00 58.87 57.54 2djm n SER 5 Cb 0.52 0.58 -0.13 0.00 -0.75 0.00 0.00 64.21 64.43 2djm n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2djm n SER 6 N -2.83 1.07 -4.58 -3.46 7.64 -1.26 -5.02 113.62 105.18 2djm n SER 6 Ca 0.00 -0.01 -0.29 0.00 1.01 0.00 0.00 58.87 59.58 2djm n SER 6 Cb 0.00 0.79 -0.09 0.00 -1.01 0.00 0.00 64.21 63.90 2djm n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2djm s ALA 7 N -2.40 3.42 -1.78 -0.43 0.00 -1.26 -5.04 121.76 114.28 2djm s ALA 7 Ca -0.10 -1.30 0.18 0.00 0.00 0.00 0.00 51.96 50.74 2djm s ALA 7 Cb 0.05 0.26 0.57 0.00 0.00 0.00 0.00 23.12 24.01 2djm s ALA 7 CO 0.66 -0.14 1.47 0.43 0.00 0.00 0.00 175.76 178.18 2djm n SER 8 N -1.11 3.58 -3.75 0.00 7.64 -1.26 -4.34 113.62 114.38 2djm n SER 8 Ca -0.11 -2.11 -0.12 0.00 1.01 0.00 0.00 58.87 57.54 2djm n SER 8 Cb 0.67 -0.45 -0.08 0.00 -1.01 0.00 0.00 64.21 63.34 2djm n SER 8 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2djm s VAL 9 N -1.34 0.07 -0.22 0.44 0.11 -1.26 -0.77 120.40 117.42 2djm s VAL 9 Ca 0.42 -0.57 -0.04 0.00 -2.93 0.00 0.00 61.98 58.86 2djm s VAL 9 Cb 0.24 -0.79 0.11 0.00 -1.53 0.00 0.00 36.38 34.41 2djm s VAL 9 CO 0.26 -0.32 0.34 -1.58 -3.33 0.00 0.00 175.10 170.48 2djm s GLN 10 N -1.96 0.30 0.17 1.54 0.74 0.11 -4.83 119.66 115.73 2djm s GLN 10 Ca -0.09 0.55 -0.31 0.00 0.05 0.00 0.00 55.36 55.56 2djm s GLN 10 Cb -0.03 -0.48 -0.09 0.00 1.10 0.00 0.00 33.01 33.51 2djm s GLN 10 CO 0.00 -0.57 1.40 -1.17 -0.55 0.00 0.00 175.29 174.41 2djm s LEU 11 N 2.50 4.39 -0.01 3.68 0.20 -1.26 -2.09 118.68 126.08 2djm s LEU 11 Ca 0.09 2.46 -0.18 0.00 0.69 0.00 0.00 54.13 57.18 2djm s LEU 11 Cb -0.15 -3.60 -0.10 0.00 -0.43 0.00 0.00 46.19 41.91 2djm s LEU 11 CO -0.14 -0.65 0.83 -0.78 -0.29 0.00 0.00 176.35 175.32 2djm h ASP 12 N 6.02 -0.55 -4.35 3.68 1.82 -1.76 -3.45 116.42 117.82 2djm h ASP 12 Ca -0.44 0.02 0.10 0.00 -0.39 0.00 0.00 57.03 56.32 2djm h ASP 12 Cb 1.21 0.14 -0.20 0.00 0.68 0.00 0.00 39.33 41.17 2djm h ASP 12 CO 0.83 -0.21 0.53 -0.44 -1.61 0.00 0.00 179.24 178.34 2djm s SER 13 N -4.36 -0.36 0.01 2.28 0.01 -0.63 -5.02 113.70 105.63 2djm s SER 13 Ca -0.10 0.23 -0.25 0.00 1.31 0.00 0.00 55.95 57.15 2djm s SER 13 Cb 0.01 0.33 0.06 0.00 0.21 0.00 0.00 66.02 66.63 2djm s SER 13 CO 0.29 -0.45 0.56 -0.72 0.41 0.00 0.00 173.24 173.33 2djm s TYR 14 N -1.96 -0.49 0.25 2.43 -0.85 -1.26 0.02 117.35 115.50 2djm s TYR 14 Ca 0.01 0.69 0.05 0.00 -0.52 0.00 0.00 57.07 57.30 2djm s TYR 14 Cb -0.01 0.35 -0.05 0.00 0.38 0.00 0.00 41.96 42.63 2djm s TYR 14 CO -0.03 -0.61 -0.04 -0.80 -1.52 0.00 0.00 175.55 172.55 2djm s ASN 15 N -1.64 2.39 0.02 -0.18 0.01 0.24 -4.94 114.94 110.83 2djm s ASN 15 Ca -0.08 -1.19 -0.08 0.00 -0.71 0.00 0.00 52.86 50.80 2djm s ASN 15 Cb -0.01 -0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.55 2djm s ASN 15 CO 0.03 -0.40 0.16 -0.47 -1.51 0.00 0.00 177.10 174.91 2djm s TYR 16 N -3.17 0.05 -0.30 2.20 5.04 -1.25 -2.67 117.35 117.25 2djm s TYR 16 Ca 0.28 -0.19 -0.16 0.00 -2.44 0.00 0.00 57.07 54.56 2djm s TYR 16 Cb 0.04 -0.04 0.17 0.00 0.35 0.00 0.00 41.96 42.48 2djm s TYR 16 CO 0.10 -0.35 1.09 0.34 -1.34 0.00 0.00 175.55 175.39 2djm s ASP 17 N -1.67 -0.40 0.82 4.32 2.15 -1.20 -4.94 116.67 115.74 2djm s ASP 17 Ca -0.11 0.56 0.00 0.00 0.43 0.00 0.00 52.55 53.43 2djm s ASP 17 Cb -0.05 1.40 0.00 0.00 -0.30 0.00 0.00 42.92 43.98 2djm s ASP 17 CO -0.00 -0.08 0.00 0.61 -0.17 0.00 0.00 175.17 175.53 2djm n GLY 18 N 4.57 0.27 2.44 2.66 0.00 -1.26 -1.82 105.19 112.06 2djm n GLY 18 Ca -0.10 0.66 -0.28 0.00 0.00 0.00 0.00 46.02 46.30 2djm n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djm s SER 19 N -4.00 2.37 -0.07 1.61 0.01 -1.26 -4.95 113.70 107.40 2djm s SER 19 Ca 0.00 -2.57 -0.07 0.00 1.31 0.00 0.00 55.95 54.62 2djm s SER 19 Cb 0.00 -0.44 0.02 0.00 0.21 0.00 0.00 66.02 65.81 2djm s SER 19 CO 0.00 -0.25 0.20 -0.89 0.41 0.00 0.00 173.24 172.71 2djm s THR 20 N 0.62 0.00 -0.03 1.44 2.01 -0.76 -3.99 115.64 114.92 2djm s THR 20 Ca 0.24 -0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.30 2djm s THR 20 Cb -0.12 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 72.08 2djm s THR 20 CO -0.08 -0.00 -0.22 0.12 -0.69 0.00 0.00 174.62 173.75 2djm s PHE 21 N 0.09 2.45 -0.29 4.92 2.19 0.10 -3.24 117.98 124.20 2djm s PHE 21 Ca -0.00 -0.38 -0.14 0.00 0.33 0.00 0.00 56.93 56.74 2djm s PHE 21 Cb -0.01 -1.55 0.10 0.00 -1.31 0.00 0.00 43.02 40.25 2djm s PHE 21 CO 0.00 0.01 0.68 -1.54 1.83 0.00 0.00 175.22 176.21 2djm s SER 22 N -0.61 -1.01 0.00 6.13 1.04 -1.09 0.71 113.70 118.88 2djm s SER 22 Ca 0.09 1.52 0.00 0.00 0.48 0.00 0.00 55.95 58.05 2djm s SER 22 Cb -0.10 1.71 0.00 0.00 0.10 0.00 0.00 66.02 67.72 2djm s SER 22 CO -0.00 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2djm n GLY 23 N 4.71 -0.57 3.44 7.32 0.00 -0.72 0.79 105.19 120.14 2djm n GLY 23 Ca -0.17 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.22 1.26 0.14 1.61 0.00 0.10 -1.84 119.74 120.79 2djm s LYS 24 Ca 0.00 -0.47 0.06 0.00 0.00 0.00 0.00 55.97 55.56 2djm s LYS 24 Cb 0.00 0.58 -0.04 0.00 0.00 0.00 0.00 37.83 38.37 2djm s LYS 24 CO 0.00 -0.55 -0.14 0.42 0.00 0.00 0.00 175.35 175.08 2djm s ILE 25 N -3.71 1.40 -0.15 3.79 1.01 0.27 -1.60 121.20 122.21 2djm s ILE 25 Ca 0.01 -1.85 -0.01 0.00 0.00 0.00 0.00 60.65 58.81 2djm s ILE 25 Cb -0.01 -1.67 0.04 0.00 0.01 0.00 0.00 42.46 40.83 2djm s ILE 25 CO -0.12 -0.48 -0.04 -0.47 0.00 0.00 0.00 174.94 173.83 2djm s TYR 26 N -2.40 1.45 0.02 3.97 6.14 -0.89 -1.87 117.35 123.77 2djm s TYR 26 Ca 0.12 -0.88 0.00 0.00 0.64 0.00 0.00 57.07 56.95 2djm s TYR 26 Cb -0.03 -1.20 -0.02 0.00 0.42 0.00 0.00 41.96 41.13 2djm s TYR 26 CO 0.03 -0.56 -0.03 0.14 0.64 0.00 0.00 175.55 175.77 2djm s VAL 27 N 1.72 0.16 0.23 3.14 -7.23 -1.13 0.09 120.40 117.38 2djm s VAL 27 Ca 0.02 -0.86 -0.05 0.00 -1.81 0.00 0.00 61.98 59.28 2djm s VAL 27 Cb -0.15 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 36.45 2djm s VAL 27 CO -0.07 -0.44 0.49 -1.59 -0.31 0.00 0.00 175.10 173.17 2djm s LYS 28 N -1.35 3.64 -0.08 4.82 0.00 0.05 -0.33 119.74 126.48 2djm s LYS 28 Ca -0.14 -0.02 -0.30 0.00 0.00 0.00 0.00 55.97 55.52 2djm s LYS 28 Cb -0.09 -2.72 -0.02 0.00 0.00 0.00 0.00 37.83 35.00 2djm s LYS 28 CO -0.01 0.32 1.02 -0.80 0.00 0.00 0.00 175.35 175.88 2djm s ASN 29 N -2.84 7.25 -0.22 0.03 0.01 -1.09 -4.88 114.94 113.20 2djm s ASN 29 Ca 0.43 1.58 -0.17 0.00 -0.71 0.00 0.00 52.86 53.99 2djm s ASN 29 Cb -0.11 -2.56 -0.18 0.00 0.41 0.00 0.00 41.25 38.81 2djm s ASN 29 CO 0.27 -0.43 0.04 -0.38 -1.51 0.00 0.00 177.10 175.09 2djm n ILE 30 N 4.44 1.56 -2.61 0.60 2.08 -1.26 -5.04 119.36 119.13 2djm n ILE 30 Ca 0.08 -0.21 0.00 0.00 0.56 0.00 0.00 62.75 63.18 2djm n ILE 30 Cb 0.49 -1.94 0.00 0.00 -0.75 0.00 0.00 39.64 37.44 2djm n ILE 30 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2djm n ALA 31 N -3.62 0.00 -0.06 -1.39 0.00 -1.26 -5.11 120.51 109.07 2djm n ALA 31 Ca -0.39 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 2djm n ALA 31 Cb 0.79 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.20 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 0.00 0.00 -2.66 0.00 9.36 -1.26 -4.80 117.16 117.80 2djm n TYR 32 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 2djm n TYR 32 Cb 0.00 -0.44 -0.02 0.00 -0.63 0.00 0.00 39.34 38.25 2djm n TYR 32 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2djm s SER 33 N -6.17 6.70 0.50 2.98 0.01 -1.26 -4.96 113.70 111.50 2djm s SER 33 Ca -0.18 -2.05 0.08 0.00 1.31 0.00 0.00 55.95 55.11 2djm s SER 33 Cb 0.06 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.80 2djm s SER 33 CO 0.23 -1.25 0.60 -0.54 0.41 0.00 0.00 173.24 172.69 2djm s LYS 34 N 4.03 2.47 -0.01 12.44 1.02 -1.26 -3.92 119.74 134.51 2djm s LYS 34 Ca 0.47 -1.59 0.03 0.00 0.02 0.00 0.00 55.97 54.90 2djm s LYS 34 Cb 0.00 -2.53 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 2djm s LYS 34 CO -0.03 -0.55 -0.11 0.15 -0.92 0.00 0.00 175.35 173.90 2djm s LYS 35 N -4.42 0.91 -0.23 1.68 1.02 0.14 -4.96 119.74 113.89 2djm s LYS 35 Ca 0.53 -0.38 -0.01 0.00 0.02 0.00 0.00 55.97 56.13 2djm s LYS 35 Cb -0.06 -0.88 0.07 0.00 -0.52 0.00 0.00 37.83 36.44 2djm s LYS 35 CO 0.32 0.21 0.01 0.08 -0.92 0.00 0.00 175.35 175.06 2djm s VAL 36 N -0.17 0.96 -0.14 3.17 1.01 -1.26 -1.64 120.40 122.32 2djm s VAL 36 Ca 0.03 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.09 2djm s VAL 36 Cb -0.05 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.93 2djm s VAL 36 CO -0.00 -0.24 -0.18 0.42 0.00 0.00 0.00 175.10 175.10 2djm s THR 37 N 1.65 1.80 0.07 3.92 -4.23 -1.04 -0.89 115.64 116.93 2djm s THR 37 Ca -0.01 -0.80 -0.26 0.00 -1.18 0.00 0.00 61.69 59.43 2djm s THR 37 Cb -0.18 -1.63 -0.06 0.00 1.34 0.00 0.00 72.50 71.97 2djm s THR 37 CO -0.10 0.50 0.81 -0.69 -0.54 0.00 0.00 174.62 174.60 2djm s VAL 38 N 1.11 4.64 -0.07 2.29 1.01 0.13 -0.66 120.40 128.84 2djm s VAL 38 Ca -0.02 1.74 -0.01 0.00 0.00 0.00 0.00 61.98 63.69 2djm s VAL 38 Cb -0.14 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.10 2djm s VAL 38 CO -0.06 0.37 -0.01 0.68 0.00 0.00 0.00 175.10 176.08 2djm s VAL 39 N -0.16 0.42 0.43 2.92 -7.23 -1.10 -0.23 120.40 115.45 2djm s VAL 39 Ca 0.40 0.07 0.07 0.00 -1.81 0.00 0.00 61.98 60.70 2djm s VAL 39 Cb -0.21 -0.55 -0.05 0.00 0.56 0.00 0.00 36.38 36.13 2djm s VAL 39 CO 0.25 0.25 0.13 -0.72 -0.31 0.00 0.00 175.10 174.70 2djm s TYR 40 N 1.74 2.47 -0.99 2.82 -0.85 -1.12 -1.99 117.35 119.43 2djm s TYR 40 Ca 0.02 -0.65 -0.15 0.00 -0.52 0.00 0.00 57.07 55.76 2djm s TYR 40 Cb -0.13 -1.88 0.18 0.00 0.38 0.00 0.00 41.96 40.51 2djm s TYR 40 CO -0.04 0.23 1.11 0.00 -1.52 0.00 0.00 175.55 175.32 2djm s ALA 41 N -2.66 3.85 0.00 9.51 0.00 0.44 -4.72 121.76 128.18 2djm s ALA 41 Ca 0.36 -3.17 0.00 0.00 0.00 0.00 0.00 51.96 49.15 2djm s ALA 41 Cb 0.05 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2djm s ALA 41 CO 0.20 -2.67 0.00 -3.47 0.00 0.00 0.00 175.76 169.82 2djm n ASP 42 N 5.25 0.00 0.00 0.00 2.03 -1.23 -1.46 116.55 121.13 2djm n ASP 42 Ca 0.24 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.55 2djm n ASP 42 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 2djm n ASP 42 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2djm n GLY 43 N 0.00 0.00 0.55 0.27 0.00 -1.26 -1.80 105.19 102.94 2djm n GLY 43 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.68 1.43 0.00 1.61 2.88 -1.26 -4.41 113.62 113.20 2djm n SER 44 Ca 0.00 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2djm n SER 44 Cb 0.07 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 2djm n SER 44 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2djm n ASP 45 N -3.89 0.00 -4.55 -3.46 5.75 -1.26 -4.84 116.55 104.30 2djm n ASP 45 Ca -0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.29 2djm n ASP 45 Cb 0.25 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.27 2djm n ASP 45 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2djm s ASN 46 N 0.00 6.37 -0.16 -1.12 2.47 -1.26 -4.92 114.94 116.31 2djm s ASN 46 Ca 0.00 -0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.24 2djm s ASN 46 Cb 0.00 -2.31 0.03 0.00 -1.45 0.00 0.00 41.25 37.51 2djm s ASN 46 CO 0.00 -0.63 -0.14 0.26 -3.72 0.00 0.00 177.10 172.87 2djm s TRP 47 N 2.69 2.27 -1.09 0.43 0.52 -1.26 -3.49 118.94 119.00 2djm s TRP 47 Ca 0.23 -1.33 -0.08 0.00 0.02 0.00 0.00 56.10 54.93 2djm s TRP 47 Cb -0.15 -1.63 -0.11 0.00 -1.15 0.00 0.00 33.47 30.44 2djm s TRP 47 CO 0.16 -0.70 3.08 -1.71 0.02 0.00 0.00 176.95 177.80 2djm n ASN 48 N 4.74 7.62 0.00 2.95 5.15 -1.26 -4.54 115.26 129.92 2djm n ASN 48 Ca -0.17 -2.64 0.00 0.00 -0.60 0.00 0.00 54.58 51.18 2djm n ASN 48 Cb 0.49 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.26 2djm n ASN 48 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2djm n ASN 49 N 2.96 0.00 0.00 1.20 5.15 -1.26 -3.40 115.26 119.91 2djm n ASN 49 Ca 0.66 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.64 2djm n ASN 49 Cb 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 2djm n ASN 49 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2djm n ASN 50 N 1.62 0.00 0.00 1.20 5.03 -1.26 -5.03 115.26 116.81 2djm n ASN 50 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2djm n ASN 50 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2djm n ASN 50 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2djm n GLY 51 N 3.08 1.74 2.66 7.41 0.00 -1.22 -4.23 105.19 114.64 2djm n GLY 51 Ca 0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 2djm n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2djm s ASN 52 N 0.00 3.82 0.03 1.61 6.03 -1.26 -4.92 114.94 120.25 2djm s ASN 52 Ca 0.00 -1.63 0.08 0.00 -1.03 0.00 0.00 52.86 50.29 2djm s ASN 52 Cb 0.00 -0.71 -0.03 0.00 -3.03 0.00 0.00 41.25 37.49 2djm s ASN 52 CO 0.00 -0.41 -0.23 -0.51 -2.03 0.00 0.00 177.10 173.92 2djm s ILE 53 N 1.65 1.88 -0.06 0.54 -1.16 -1.26 -2.81 121.20 119.98 2djm s ILE 53 Ca 0.10 -1.24 0.01 0.00 -0.51 0.00 0.00 60.65 59.01 2djm s ILE 53 Cb -0.18 -1.61 0.02 0.00 0.61 0.00 0.00 42.46 41.30 2djm s ILE 53 CO -0.26 0.32 -0.08 -0.51 -2.81 0.00 0.00 174.94 171.60 2djm s ILE 54 N -0.76 0.83 0.07 2.00 2.07 0.69 -4.95 121.20 121.15 2djm s ILE 54 Ca 0.09 -0.28 -0.30 0.00 -1.41 0.00 0.00 60.65 58.76 2djm s ILE 54 Cb -0.09 -0.81 -0.05 0.00 0.13 0.00 0.00 42.46 41.64 2djm s ILE 54 CO 0.01 0.29 0.96 0.00 -1.91 0.00 0.00 174.94 174.30 2djm s ALA 55 N 0.93 3.22 0.72 1.50 0.00 -1.26 0.18 121.76 127.04 2djm s ALA 55 Ca -0.10 0.55 -0.11 0.00 0.00 0.00 0.00 51.96 52.30 2djm s ALA 55 Cb -0.15 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.71 2djm s ALA 55 CO 0.01 -0.10 1.07 0.00 0.00 0.00 0.00 175.76 176.74 2djm s ALA 56 N 0.36 2.51 -0.15 0.00 0.00 -0.06 -4.93 121.76 119.49 2djm s ALA 56 Ca 0.48 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.61 2djm s ALA 56 Cb -0.22 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 2djm s ALA 56 CO 0.29 -1.42 -0.09 -1.12 0.00 0.00 0.00 175.76 173.41 2djm s SER 57 N -3.57 4.29 0.27 0.00 0.01 -0.97 -4.90 113.70 108.83 2djm s SER 57 Ca 0.60 -0.27 -0.29 0.00 1.31 0.00 0.00 55.95 57.29 2djm s SER 57 Cb -0.15 -1.68 -0.09 0.00 0.21 0.00 0.00 66.02 64.30 2djm s SER 57 CO 0.54 0.15 1.19 -0.36 0.41 0.00 0.00 173.24 175.18 2djm s PHE 58 N 0.46 3.37 -0.27 2.43 0.40 -1.26 -0.38 117.98 122.74 2djm s PHE 58 Ca -0.07 1.53 -0.08 0.00 -0.60 0.00 0.00 56.93 57.71 2djm s PHE 58 Cb -0.15 -3.45 -0.14 0.00 0.51 0.00 0.00 43.02 39.79 2djm s PHE 58 CO 0.04 -1.15 -0.28 0.43 0.70 0.00 0.00 175.22 174.96 2djm n SER 59 N 1.41 1.97 0.00 1.36 7.64 0.12 -4.81 113.62 121.30 2djm n SER 59 Ca 0.01 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2djm n SER 59 Cb 0.44 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 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 1.64 1.29 3.74 0.23 0.00 -1.13 -4.99 105.19 105.98 2djm n GLY 60 Ca -0.51 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 2djm n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2djm n PRO 61 N -1.51 2.73 -2.37 1.61 -0.02 -1.26 -1.06 135.00 133.11 2djm n PRO 61 Ca 0.00 0.97 -0.42 0.00 -2.02 0.00 0.00 63.50 62.03 2djm n PRO 61 Cb 0.00 -2.76 -0.02 0.00 -0.02 0.00 0.00 33.50 30.69 2djm n PRO 61 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2djm s ILE 62 N 0.13 3.82 -0.06 4.25 1.01 0.89 -4.87 121.20 126.37 2djm s ILE 62 Ca 0.65 0.75 -0.37 0.00 0.00 0.00 0.00 60.65 61.68 2djm s ILE 62 Cb -0.49 -4.36 -0.15 0.00 0.01 0.00 0.00 42.46 37.47 2djm s ILE 62 CO 0.47 -1.03 1.58 -1.20 0.00 0.00 0.00 174.94 174.75 2djm n SER 63 N 9.38 2.28 0.00 3.58 7.64 -1.26 -1.23 113.62 134.01 2djm n SER 63 Ca 0.14 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.10 2djm n SER 63 Cb 0.49 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 2djm n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djm n GLY 64 N 3.45 0.80 3.59 0.23 0.00 -1.26 -5.04 105.19 106.95 2djm n GLY 64 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.29 0.11 -0.24 1.61 0.01 -0.37 -5.04 113.70 107.49 2djm s SER 65 Ca 0.00 -1.05 0.14 0.00 1.31 0.00 0.00 55.95 56.35 2djm s SER 65 Cb 0.00 0.62 0.78 0.00 0.21 0.00 0.00 66.02 67.63 2djm s SER 65 CO 0.00 -1.21 1.72 -0.46 0.41 0.00 0.00 173.24 173.69 2djm n ASN 66 N -0.65 5.44 -4.85 2.44 0.23 -1.26 -4.57 115.26 112.03 2djm n ASN 66 Ca -0.02 -2.98 -0.26 0.00 -0.53 0.00 0.00 54.58 50.79 2djm n ASN 66 Cb 0.62 -0.67 -0.05 0.00 -2.08 0.00 0.00 39.78 37.60 2djm n ASN 66 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 2djm s TYR 67 N -2.81 3.27 0.31 -2.53 2.02 -1.26 -2.69 117.35 113.66 2djm s TYR 67 Ca 0.53 0.03 0.09 0.00 -0.37 0.00 0.00 57.07 57.35 2djm s TYR 67 Cb 0.41 -1.57 -0.05 0.00 -0.40 0.00 0.00 41.96 40.36 2djm s TYR 67 CO 0.15 0.52 0.02 -2.00 -1.57 0.00 0.00 175.55 172.66 2djm s GLU 68 N -3.15 2.20 -0.17 -0.62 2.12 0.55 -0.08 118.70 119.55 2djm s GLU 68 Ca 0.32 -1.57 0.01 0.00 0.36 0.00 0.00 54.97 54.09 2djm s GLU 68 Cb -0.10 -2.06 0.02 0.00 0.26 0.00 0.00 34.13 32.25 2djm s GLU 68 CO 0.25 0.24 -0.16 -0.47 -0.54 0.00 0.00 175.26 174.58 2djm s TYR 69 N -2.42 2.45 -0.14 5.30 5.04 -0.22 -2.86 117.35 124.50 2djm s TYR 69 Ca 0.34 -1.44 0.01 0.00 -2.44 0.00 0.00 57.07 53.53 2djm s TYR 69 Cb -0.04 -1.74 -0.00 0.00 0.35 0.00 0.00 41.96 40.54 2djm s TYR 69 CO 0.20 -0.74 -0.16 -1.58 -1.34 0.00 0.00 175.55 171.94 2djm s TRP 70 N 1.39 2.76 0.07 4.97 0.52 -0.78 0.12 118.94 128.00 2djm s TRP 70 Ca 0.04 -0.96 0.03 0.00 0.02 0.00 0.00 56.10 55.23 2djm s TRP 70 Cb -0.13 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.29 2djm s TRP 70 CO -0.11 -0.42 -0.09 0.95 0.02 0.00 0.00 176.95 177.30 2djm s THR 71 N 0.68 0.74 -0.22 2.01 -4.23 0.49 0.94 115.64 116.05 2djm s THR 71 Ca -0.08 -1.38 -0.30 0.00 -1.18 0.00 0.00 61.69 58.75 2djm s THR 71 Cb -0.16 -1.03 0.16 0.00 1.34 0.00 0.00 72.50 72.82 2djm s THR 71 CO 0.02 -0.48 1.19 0.72 -0.54 0.00 0.00 174.62 175.53 2djm s PHE 72 N -1.98 -0.19 -0.07 3.99 -0.71 -0.77 -2.29 117.98 115.96 2djm s PHE 72 Ca -0.02 0.31 0.02 0.00 -1.04 0.00 0.00 56.93 56.20 2djm s PHE 72 Cb -0.06 0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 42.20 2djm s PHE 72 CO -0.00 -0.18 -0.11 -1.12 -1.34 0.00 0.00 175.22 172.47 2djm s SER 73 N -1.15 4.31 -0.03 1.98 0.01 -1.26 -1.76 113.70 115.80 2djm s SER 73 Ca 0.04 -0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.19 2djm s SER 73 Cb -0.01 -1.10 0.00 0.00 0.21 0.00 0.00 66.02 65.13 2djm s SER 73 CO -0.04 0.32 -0.08 0.00 0.41 0.00 0.00 173.24 173.85 2djm s ALA 74 N -0.59 0.82 -0.71 1.44 0.00 0.22 -4.96 121.76 117.97 2djm s ALA 74 Ca 0.09 -0.31 -0.22 0.00 0.00 0.00 0.00 51.96 51.52 2djm s ALA 74 Cb -0.11 -0.31 0.08 0.00 0.00 0.00 0.00 23.12 22.78 2djm s ALA 74 CO 0.02 0.13 0.99 0.45 0.00 0.00 0.00 175.76 177.35 2djm s SER 75 N 0.21 6.25 -0.10 0.00 0.15 -1.26 0.00 113.70 118.96 2djm s SER 75 Ca -0.03 -1.18 -0.04 0.00 0.70 0.00 0.00 55.95 55.40 2djm s SER 75 Cb -0.08 -2.42 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 2djm s SER 75 CO 0.00 -1.38 0.06 0.68 1.20 0.00 0.00 173.24 173.80 2djm s VAL 76 N 3.83 4.78 -0.55 4.45 -7.23 -1.26 -4.95 120.40 119.48 2djm s VAL 76 Ca 0.24 -0.07 0.01 0.00 -1.81 0.00 0.00 61.98 60.35 2djm s VAL 76 Cb -0.15 -3.04 0.46 0.00 0.56 0.00 0.00 36.38 34.20 2djm s VAL 76 CO 0.06 0.61 1.77 0.29 -0.31 0.00 0.00 175.10 177.53 2djm n LYS 77 N 2.09 2.97 0.00 4.82 4.01 -1.26 -3.95 118.16 126.83 2djm n LYS 77 Ca -0.19 -3.56 0.00 0.00 -0.51 0.00 0.00 58.31 54.05 2djm n LYS 77 Cb 0.54 -2.28 0.00 0.00 -0.51 0.00 0.00 35.03 32.78 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 -0.86 4.21 3.59 0.72 0.00 -1.26 -5.04 105.19 106.55 2djm n GLY 78 Ca 0.57 -1.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.68 0.00 -0.01 -0.61 2.07 -0.74 -4.64 121.20 116.59 2djm s ILE 79 Ca 0.00 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.20 2djm s ILE 79 Cb 0.00 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 2djm s ILE 79 CO 0.00 0.00 -0.09 1.17 -1.91 0.00 0.00 174.94 174.11 2djm n LYS 80 N 1.98 0.14 -4.02 3.50 0.00 -0.54 -4.81 118.16 114.41 2djm n LYS 80 Ca -0.16 0.06 -0.11 0.00 0.00 0.00 0.00 58.31 58.10 2djm n LYS 80 Cb 0.56 -0.75 -0.04 0.00 0.00 0.00 0.00 35.03 34.80 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 -2.19 1.77 0.08 1.64 -1.05 -1.20 -0.57 118.70 117.16 2djm s GLU 81 Ca -0.08 -1.50 -0.25 0.00 -0.15 0.00 0.00 54.97 52.99 2djm s GLU 81 Cb 0.02 0.47 0.09 0.00 -0.44 0.00 0.00 34.13 34.27 2djm s GLU 81 CO 0.12 -0.74 1.17 -0.59 0.95 0.00 0.00 175.26 176.16 2djm s PHE 82 N -3.43 0.06 0.02 4.83 -0.71 -0.70 0.17 117.98 118.22 2djm s PHE 82 Ca 0.26 -0.31 -0.28 0.00 -1.04 0.00 0.00 56.93 55.55 2djm s PHE 82 Cb -0.01 0.63 0.08 0.00 -1.21 0.00 0.00 43.02 42.51 2djm s PHE 82 CO 0.14 -0.59 0.70 1.52 -1.34 0.00 0.00 175.22 175.65 2djm s TYR 83 N -2.04 -0.56 0.01 3.49 1.13 -0.84 -0.15 117.35 118.39 2djm s TYR 83 Ca 0.27 0.70 -0.02 0.00 -1.41 0.00 0.00 57.07 56.61 2djm s TYR 83 Cb -0.02 0.48 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 2djm s TYR 83 CO 0.02 -0.67 0.19 0.42 -2.51 0.00 0.00 175.55 173.01 2djm s ILE 84 N -2.32 5.42 -0.44 -3.49 -1.09 0.11 -2.71 121.20 116.68 2djm s ILE 84 Ca -0.04 -0.23 -0.13 0.00 -2.23 0.00 0.00 60.65 58.01 2djm s ILE 84 Cb -0.01 -3.57 0.06 0.00 -1.58 0.00 0.00 42.46 37.36 2djm s ILE 84 CO -0.01 0.26 0.33 -0.54 -1.23 0.00 0.00 174.94 173.75 2djm s LYS 85 N -2.13 2.87 -0.65 2.79 -0.14 0.17 -2.58 119.74 120.07 2djm s LYS 85 Ca 0.30 -1.29 -0.23 0.00 -1.36 0.00 0.00 55.97 53.39 2djm s LYS 85 Cb -0.13 -3.98 0.06 0.00 -1.68 0.00 0.00 37.83 32.10 2djm s LYS 85 CO 0.22 -0.93 1.00 -0.47 -0.76 0.00 0.00 175.35 174.41 2djm s TYR 86 N 1.59 2.65 -0.26 3.18 5.04 -1.09 -2.48 117.35 125.98 2djm s TYR 86 Ca 0.04 -0.39 -0.06 0.00 -2.44 0.00 0.00 57.07 54.22 2djm s TYR 86 Cb -0.22 -4.29 -0.00 0.00 0.35 0.00 0.00 41.96 37.79 2djm s TYR 86 CO 0.06 -1.65 0.03 -2.00 -1.34 0.00 0.00 175.55 170.66 2djm s GLU 87 N 4.24 3.28 -0.33 4.97 2.12 -0.65 -1.12 118.70 131.21 2djm s GLU 87 Ca 0.25 -0.71 -0.01 0.00 0.36 0.00 0.00 54.97 54.86 2djm s GLU 87 Cb -0.15 -3.22 0.07 0.00 0.26 0.00 0.00 34.13 31.09 2djm s GLU 87 CO 0.12 -0.31 0.05 0.08 -0.54 0.00 0.00 175.26 174.66 2djm s VAL 88 N 1.50 2.90 -1.42 3.70 1.01 0.24 0.26 120.40 128.59 2djm s VAL 88 Ca 0.04 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.32 2djm s VAL 88 Cb -0.16 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.41 2djm s VAL 88 CO 0.00 -0.31 0.00 -0.24 0.00 0.00 0.00 175.10 174.56 2djm n SER 89 N 4.55 -4.05 0.00 3.32 2.88 -1.25 0.28 113.62 119.34 2djm n SER 89 Ca -0.08 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 2djm n SER 89 Cb 0.43 -3.61 0.00 0.00 -0.75 0.00 0.00 64.21 60.28 2djm n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djm n GLY 90 N -0.50 0.83 3.92 0.46 0.00 -1.26 -5.09 105.19 103.55 2djm n GLY 90 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2djm n GLY 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2djm s LYS 91 N -0.88 3.47 0.00 1.61 2.47 0.14 -5.08 119.74 121.48 2djm s LYS 91 Ca 0.00 -0.41 0.06 0.00 -1.56 0.00 0.00 55.97 54.06 2djm s LYS 91 Cb 0.00 -2.99 -0.02 0.00 -1.46 0.00 0.00 37.83 33.36 2djm s LYS 91 CO 0.00 0.57 -0.18 0.99 0.16 0.00 0.00 175.35 176.89 2djm s THR 92 N -1.58 1.43 0.18 3.43 2.01 -1.26 0.79 115.64 120.64 2djm s THR 92 Ca 0.36 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.52 2djm s THR 92 Cb -0.13 -1.21 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 2djm s THR 92 CO 0.28 0.33 0.10 -1.22 -0.69 0.00 0.00 174.62 173.42 2djm n TYR 93 N 2.43 -0.13 -3.79 4.92 4.01 -0.28 -5.00 117.16 119.32 2djm n TYR 93 Ca -0.15 -1.30 -0.13 0.00 -0.16 0.00 0.00 57.90 56.16 2djm n TYR 93 Cb 0.54 0.06 -0.13 0.00 -0.31 0.00 0.00 39.34 39.50 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 -2.45 -0.19 -0.20 -0.72 2.02 -1.26 -2.65 117.35 111.90 2djm s TYR 94 Ca 0.14 0.49 -0.00 0.00 -0.37 0.00 0.00 57.07 57.32 2djm s TYR 94 Cb 0.01 0.03 0.05 0.00 -0.40 0.00 0.00 41.96 41.65 2djm s TYR 94 CO 0.10 -0.12 -0.05 0.34 -1.57 0.00 0.00 175.55 174.25 2djm s ASP 95 N 0.42 3.28 0.00 2.29 2.15 -1.06 -4.78 116.67 118.97 2djm s ASP 95 Ca -0.03 -0.90 0.00 0.00 0.43 0.00 0.00 52.55 52.05 2djm s ASP 95 Cb -0.04 -1.01 0.00 0.00 -0.30 0.00 0.00 42.92 41.57 2djm s ASP 95 CO -0.02 -0.21 0.00 -0.46 -0.17 0.00 0.00 175.17 174.31 2djm n ASN 96 N 4.80 0.09 0.00 -0.34 6.94 -1.26 -0.71 115.26 124.78 2djm n ASN 96 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.44 2djm n ASN 96 Cb 0.46 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 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 -1.86 0.00 0.00 0.53 6.94 -1.26 -3.69 115.26 115.92 2djm n ASN 97 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2djm n ASN 97 Cb 0.02 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 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 0.00 0.00 -2.70 0.53 2.85 -1.26 -4.97 115.26 109.70 2djm n ASN 98 Ca 0.00 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.40 2djm n ASN 98 Cb 0.00 0.00 0.11 0.00 1.24 0.00 0.00 39.78 41.13 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 -1.79 0.00 1.20 7.64 -1.26 -4.97 113.62 114.44 2djm n SER 99 Ca 0.00 -2.61 0.00 0.00 1.01 0.00 0.00 58.87 57.27 2djm n SER 99 Cb 0.00 1.04 0.00 0.00 -1.01 0.00 0.00 64.21 64.24 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 -0.46 1.28 0.00 -0.43 0.00 -1.26 -5.16 120.51 114.48 2djm n ALA 100 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2djm n ALA 100 Cb 0.83 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.32 2djm n ALA 100 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2djm n ASN 101 N -0.86 0.00 -4.56 0.00 3.02 -1.26 -4.76 115.26 106.84 2djm n ASN 101 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.16 2djm n ASN 101 Cb 0.07 0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 39.94 2djm n ASN 101 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2djm s TYR 102 N -3.54 1.69 -0.07 3.10 2.02 0.78 -4.73 117.35 116.61 2djm s TYR 102 Ca 0.00 0.77 -0.30 0.00 -0.37 0.00 0.00 57.07 57.18 2djm s TYR 102 Cb 0.00 -4.10 -0.03 0.00 -0.40 0.00 0.00 41.96 37.44 2djm s TYR 102 CO 0.00 -2.37 1.18 -1.14 -1.57 0.00 0.00 175.55 171.65 2djm s GLN 103 N 6.85 4.35 0.10 -0.62 2.00 -1.26 -1.73 119.66 129.35 2djm s GLN 103 Ca 0.69 1.63 -0.07 0.00 -2.00 0.00 0.00 55.36 55.60 2djm s GLN 103 Cb -0.14 -3.57 -0.06 0.00 0.80 0.00 0.00 33.01 30.05 2djm s GLN 103 CO 0.22 -0.45 0.38 0.08 -0.50 0.00 0.00 175.29 175.03 2djm s VAL 104 N 2.28 5.14 -0.39 1.34 1.01 0.26 -4.98 120.40 125.06 2djm s VAL 104 Ca 0.55 0.25 -0.19 0.00 0.00 0.00 0.00 61.98 62.59 2djm s VAL 104 Cb -0.24 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.53 2djm s VAL 104 CO 0.21 0.18 0.54 -0.44 0.00 0.00 0.00 175.10 175.58 2djm s SER 105 N -2.05 6.29 0.00 3.32 0.01 -1.26 -4.87 113.70 115.13 2djm s SER 105 Ca 0.36 -0.26 0.13 0.00 1.31 0.00 0.00 55.95 57.50 2djm s SER 105 Cb -0.13 -2.27 0.11 0.00 0.21 0.00 0.00 66.02 63.93 2djm s SER 105 CO 0.21 -0.59 0.92 0.35 0.41 0.00 0.00 173.24 174.53