#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 4.80 -0.03 0.00 0.01 -1.26 -4.96 113.70 112.26 2djm s SER 2 Ca 0.00 2.69 -0.25 0.00 1.31 0.00 0.00 55.95 59.70 2djm s SER 2 Cb 0.00 -2.63 -0.20 0.00 0.21 0.00 0.00 66.02 63.40 2djm s SER 2 CO 0.00 -1.88 1.21 0.40 0.41 0.00 0.00 173.24 173.38 2djm h ILE 3 N 0.84 1.44 -3.72 1.44 1.08 -2.01 -3.44 117.51 113.14 2djm h ILE 3 Ca -0.51 -1.36 -0.56 0.00 -0.39 0.00 0.00 64.86 62.05 2djm h ILE 3 Cb 1.33 2.31 0.12 0.00 -3.07 0.00 0.00 36.82 37.51 2djm h ILE 3 CO 0.54 0.36 0.58 -2.65 -0.69 0.00 0.00 178.15 176.30 2djm n PRO 4 N -4.76 2.09 0.24 2.37 -0.02 -1.26 -4.84 135.00 128.81 2djm n PRO 4 Ca -0.08 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2djm n PRO 4 Cb 0.31 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 2djm n PRO 4 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2djm n SER 5 N 0.08 -4.02 0.00 2.55 2.88 -1.26 -5.03 113.62 108.82 2djm n SER 5 Ca 0.06 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 2djm n SER 5 Cb 0.40 3.73 0.00 0.00 -0.75 0.00 0.00 64.21 67.59 2djm n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2djm n SER 6 N -3.49 0.00 -0.03 -3.46 2.88 -1.26 -5.06 113.62 103.19 2djm n SER 6 Ca 0.00 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2djm n SER 6 Cb 0.00 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 2djm n SER 6 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2djm n ALA 7 N -1.33 0.00 0.14 -1.46 0.00 -1.26 -5.02 120.51 111.59 2djm n ALA 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2djm n ALA 7 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 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 0.00 0.10 -4.21 0.00 0.02 -1.96 -3.44 113.55 104.06 2djm h SER 8 Ca 0.00 -0.04 -0.47 0.00 -0.84 0.00 0.00 61.79 60.44 2djm h SER 8 Cb 0.00 -0.03 -0.21 0.00 0.14 0.00 0.00 62.40 62.31 2djm h SER 8 CO 0.00 0.50 -0.79 0.54 -1.14 0.00 0.00 176.83 175.94 2djm s VAL 9 N -4.12 1.43 -0.06 2.27 0.11 -1.26 0.17 120.40 118.92 2djm s VAL 9 Ca -0.03 -1.53 -0.03 0.00 -2.93 0.00 0.00 61.98 57.46 2djm s VAL 9 Cb 0.14 -1.40 0.04 0.00 -1.53 0.00 0.00 36.38 33.63 2djm s VAL 9 CO 0.75 -0.22 0.14 -1.58 -3.33 0.00 0.00 175.10 170.86 2djm s GLN 10 N -2.08 0.08 0.32 1.54 0.74 0.16 -4.86 119.66 115.55 2djm s GLN 10 Ca 0.05 0.37 -0.29 0.00 0.05 0.00 0.00 55.36 55.54 2djm s GLN 10 Cb -0.09 -0.19 -0.10 0.00 1.10 0.00 0.00 33.01 33.73 2djm s GLN 10 CO 0.03 -0.17 1.25 -1.17 -0.55 0.00 0.00 175.29 174.68 2djm s LEU 11 N 1.23 4.46 -0.08 3.68 2.96 -1.26 -0.84 118.68 128.82 2djm s LEU 11 Ca -0.09 2.57 -0.05 0.00 -0.22 0.00 0.00 54.13 56.34 2djm s LEU 11 Cb -0.12 -3.65 -0.02 0.00 0.50 0.00 0.00 46.19 42.91 2djm s LEU 11 CO -0.06 -0.42 -0.09 -0.78 -1.32 0.00 0.00 176.35 173.68 2djm h ASP 12 N 3.50 0.00 -4.46 3.68 3.58 -1.80 -3.45 116.42 117.46 2djm h ASP 12 Ca -0.48 0.00 0.17 0.00 0.42 0.00 0.00 57.03 57.14 2djm h ASP 12 Cb 1.22 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 42.10 2djm h ASP 12 CO 0.66 0.44 0.63 -0.44 -2.88 0.00 0.00 179.24 177.64 2djm s SER 13 N -4.82 -0.27 0.07 2.28 0.01 -1.15 -5.02 113.70 104.80 2djm s SER 13 Ca -0.07 0.01 -0.24 0.00 1.31 0.00 0.00 55.95 56.95 2djm s SER 13 Cb 0.01 0.28 0.06 0.00 0.21 0.00 0.00 66.02 66.58 2djm s SER 13 CO 0.11 -0.45 0.57 -0.72 0.41 0.00 0.00 173.24 173.16 2djm s TYR 14 N -2.80 -0.49 0.18 2.43 -0.85 -1.26 -0.83 117.35 113.73 2djm s TYR 14 Ca 0.07 0.51 0.08 0.00 -0.52 0.00 0.00 57.07 57.22 2djm s TYR 14 Cb -0.01 0.42 -0.04 0.00 0.38 0.00 0.00 41.96 42.71 2djm s TYR 14 CO -0.07 -0.71 -0.07 -0.80 -1.52 0.00 0.00 175.55 172.38 2djm s ASN 15 N -2.13 4.40 -0.27 -0.18 0.01 0.18 -4.93 114.94 112.01 2djm s ASN 15 Ca -0.04 -0.54 -0.24 0.00 -0.71 0.00 0.00 52.86 51.33 2djm s ASN 15 Cb -0.00 -0.80 0.07 0.00 0.41 0.00 0.00 41.25 40.93 2djm s ASN 15 CO -0.04 0.09 0.72 -0.31 -1.51 0.00 0.00 177.10 176.05 2djm s TYR 16 N -1.74 -0.81 -0.34 2.20 2.02 -1.26 -2.79 117.35 114.62 2djm s TYR 16 Ca 0.26 1.94 -0.02 0.00 -0.37 0.00 0.00 57.07 58.88 2djm s TYR 16 Cb -0.09 0.30 0.26 0.00 -0.40 0.00 0.00 41.96 42.04 2djm s TYR 16 CO 0.16 -0.39 1.19 -3.47 -1.57 0.00 0.00 175.55 171.47 2djm n ASP 17 N 2.82 -1.44 -3.82 2.29 2.03 -1.26 -4.90 116.55 112.26 2djm n ASP 17 Ca -0.14 -1.79 -0.30 0.00 0.52 0.00 0.00 54.79 53.08 2djm n ASP 17 Cb 0.55 0.80 0.01 0.00 -0.72 0.00 0.00 41.12 41.76 2djm n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2djm n GLY 18 N 1.67 -0.49 3.35 0.27 0.00 -1.26 -4.88 105.19 103.86 2djm n GLY 18 Ca 0.03 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.15 -0.35 0.48 1.61 0.01 -1.26 -5.14 113.70 105.90 2djm s SER 19 Ca 0.62 -0.15 -0.24 0.00 1.31 0.00 0.00 55.95 57.48 2djm s SER 19 Cb -0.32 0.50 -0.07 0.00 0.21 0.00 0.00 66.02 66.35 2djm s SER 19 CO 0.76 -0.85 1.42 -0.89 0.41 0.00 0.00 173.24 174.08 2djm s THR 20 N -3.53 2.04 0.29 1.44 2.01 -1.26 -4.73 115.64 111.89 2djm s THR 20 Ca 0.01 0.03 -0.28 0.00 0.31 0.00 0.00 61.69 61.76 2djm s THR 20 Cb 0.01 -3.02 -0.09 0.00 0.01 0.00 0.00 72.50 69.41 2djm s THR 20 CO -0.10 0.00 0.98 0.12 -0.69 0.00 0.00 174.62 174.93 2djm s PHE 21 N -1.22 3.76 -0.29 4.92 2.19 0.26 -4.51 117.98 123.09 2djm s PHE 21 Ca 0.64 1.82 -0.13 0.00 0.33 0.00 0.00 56.93 59.58 2djm s PHE 21 Cb -0.43 -3.03 0.11 0.00 -1.31 0.00 0.00 43.02 38.36 2djm s PHE 21 CO 0.54 0.11 0.72 -1.12 1.83 0.00 0.00 175.22 177.31 2djm s SER 22 N -1.30 -0.97 0.00 6.13 0.01 -1.12 0.15 113.70 116.60 2djm s SER 22 Ca 0.46 1.43 0.00 0.00 1.31 0.00 0.00 55.95 59.15 2djm s SER 22 Cb -0.24 1.79 0.00 0.00 0.21 0.00 0.00 66.02 67.78 2djm s SER 22 CO 0.31 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.35 2djm n GLY 23 N 4.81 1.39 3.58 3.44 0.00 -0.76 0.47 105.19 118.12 2djm n GLY 23 Ca -0.16 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 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 1.70 1.46 0.16 1.61 0.00 -0.01 -1.90 119.74 122.76 2djm s LYS 24 Ca 0.00 -0.66 0.07 0.00 0.00 0.00 0.00 55.97 55.38 2djm s LYS 24 Cb 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 37.83 38.38 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 -3.81 1.57 -0.23 3.79 1.01 0.10 -2.51 121.20 121.12 2djm s ILE 25 Ca 0.05 -1.95 -0.02 0.00 0.00 0.00 0.00 60.65 58.73 2djm s ILE 25 Cb -0.03 -1.79 0.07 0.00 0.01 0.00 0.00 42.46 40.72 2djm s ILE 25 CO -0.06 -0.47 0.04 -0.47 0.00 0.00 0.00 174.94 173.98 2djm s TYR 26 N -2.46 1.37 0.07 3.97 6.14 -0.02 -0.61 117.35 125.81 2djm s TYR 26 Ca 0.15 -1.20 0.03 0.00 0.64 0.00 0.00 57.07 56.69 2djm s TYR 26 Cb -0.03 -1.27 -0.03 0.00 0.42 0.00 0.00 41.96 41.05 2djm s TYR 26 CO 0.05 -0.71 -0.10 0.14 0.64 0.00 0.00 175.55 175.57 2djm s VAL 27 N 1.74 0.79 0.02 3.14 -7.23 -0.99 0.35 120.40 118.22 2djm s VAL 27 Ca 0.01 -1.32 -0.30 0.00 -1.81 0.00 0.00 61.98 58.56 2djm s VAL 27 Cb -0.17 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 2djm s VAL 27 CO -0.13 -0.42 1.12 -0.75 -0.31 0.00 0.00 175.10 174.62 2djm s LYS 28 N -2.05 4.46 -0.59 4.82 2.47 0.13 0.59 119.74 129.57 2djm s LYS 28 Ca -0.03 1.64 -0.24 0.00 -1.56 0.00 0.00 55.97 55.78 2djm s LYS 28 Cb -0.07 -3.41 0.05 0.00 -1.46 0.00 0.00 37.83 32.93 2djm s LYS 28 CO 0.00 -0.22 0.96 0.54 0.16 0.00 0.00 175.35 176.80 2djm s ASN 29 N 1.09 6.28 -0.04 1.43 4.22 -1.26 -4.83 114.94 121.83 2djm s ASN 29 Ca 0.56 -0.54 -0.13 0.00 -2.14 0.00 0.00 52.86 50.61 2djm s ASN 29 Cb -0.26 -2.44 -0.07 0.00 1.28 0.00 0.00 41.25 39.76 2djm s ASN 29 CO 0.28 -1.31 0.54 0.40 -2.04 0.00 0.00 177.10 174.97 2djm h ILE 30 N 6.00 0.00 0.00 0.54 1.08 -1.94 -3.47 117.51 119.73 2djm h ILE 30 Ca -0.27 -0.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.57 2djm h ILE 30 Cb 1.07 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 2djm h ILE 30 CO 1.12 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 178.58 2djm n ALA 31 N -2.72 0.00 0.01 1.87 0.00 -1.26 -5.11 120.51 113.30 2djm n ALA 31 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2djm n ALA 31 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.02 -2.55 0.00 9.36 -1.26 -4.97 117.16 117.73 2djm n TYR 32 Ca 0.00 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.79 2djm n TYR 32 Cb 0.00 0.01 -0.02 0.00 -0.63 0.00 0.00 39.34 38.70 2djm n TYR 32 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2djm s SER 33 N -5.23 6.84 0.37 2.98 0.15 -1.26 -5.01 113.70 112.54 2djm s SER 33 Ca 0.00 1.16 0.08 0.00 0.70 0.00 0.00 55.95 57.89 2djm s SER 33 Cb 0.00 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.71 2djm s SER 33 CO 0.00 -0.94 0.04 -0.54 1.20 0.00 0.00 173.24 173.00 2djm s LYS 34 N 3.82 2.06 -0.31 5.44 -0.14 -1.26 -3.03 119.74 126.32 2djm s LYS 34 Ca 0.50 -1.87 -0.03 0.00 -1.36 0.00 0.00 55.97 53.21 2djm s LYS 34 Cb -0.14 -1.86 0.11 0.00 -1.68 0.00 0.00 37.83 34.26 2djm s LYS 34 CO 0.18 0.03 0.14 0.15 -0.76 0.00 0.00 175.35 175.09 2djm s LYS 35 N -3.75 0.37 -0.24 1.68 1.02 0.15 -4.96 119.74 114.01 2djm s LYS 35 Ca 0.36 -0.82 -0.12 0.00 0.02 0.00 0.00 55.97 55.42 2djm s LYS 35 Cb 0.03 -1.35 -0.05 0.00 -0.52 0.00 0.00 37.83 35.95 2djm s LYS 35 CO 0.20 -1.06 0.22 0.08 -0.92 0.00 0.00 175.35 173.87 2djm s VAL 36 N 1.77 5.32 -0.13 3.17 1.01 -1.26 -1.81 120.40 128.46 2djm s VAL 36 Ca 0.11 0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 2djm s VAL 36 Cb -0.18 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 32.69 2djm s VAL 36 CO -0.27 0.31 -0.02 0.42 0.00 0.00 0.00 175.10 175.55 2djm s THR 37 N 1.21 0.70 0.01 3.92 -4.23 -1.09 -1.48 115.64 114.68 2djm s THR 37 Ca 0.10 -0.30 -0.25 0.00 -1.18 0.00 0.00 61.69 60.06 2djm s THR 37 Cb -0.14 -0.93 -0.05 0.00 1.34 0.00 0.00 72.50 72.73 2djm s THR 37 CO 0.06 0.13 0.76 -0.69 -0.54 0.00 0.00 174.62 174.34 2djm s VAL 38 N 1.82 4.84 -0.25 2.29 1.01 0.03 -1.10 120.40 129.04 2djm s VAL 38 Ca 0.02 1.61 0.02 0.00 0.00 0.00 0.00 61.98 63.63 2djm s VAL 38 Cb -0.14 -4.11 0.05 0.00 0.00 0.00 0.00 36.38 32.18 2djm s VAL 38 CO -0.07 0.31 -0.10 0.68 0.00 0.00 0.00 175.10 175.92 2djm s VAL 39 N 0.30 2.32 -0.05 2.92 -7.23 -1.08 -0.38 120.40 117.20 2djm s VAL 39 Ca 0.39 -1.47 0.04 0.00 -1.81 0.00 0.00 61.98 59.13 2djm s VAL 39 Cb -0.20 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.42 2djm s VAL 39 CO 0.22 0.05 -0.16 -0.72 -0.31 0.00 0.00 175.10 174.17 2djm s TYR 40 N 1.16 2.65 -0.61 2.82 -0.85 -1.03 -2.54 117.35 118.95 2djm s TYR 40 Ca -0.06 -0.22 -0.24 0.00 -0.52 0.00 0.00 57.07 56.03 2djm s TYR 40 Cb -0.19 -1.62 0.05 0.00 0.38 0.00 0.00 41.96 40.58 2djm s TYR 40 CO -0.05 0.14 0.99 0.00 -1.52 0.00 0.00 175.55 175.10 2djm s ALA 41 N -0.67 3.10 0.41 9.51 0.00 0.19 -4.64 121.76 129.65 2djm s ALA 41 Ca 0.10 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.59 2djm s ALA 41 Cb -0.11 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2djm s ALA 41 CO 0.00 -2.63 0.00 -3.47 0.00 0.00 0.00 175.76 169.66 2djm n ASP 42 N 7.78 -0.69 0.27 0.00 -0.08 -1.26 -1.33 116.55 121.23 2djm n ASP 42 Ca -0.00 0.00 0.16 0.00 -1.51 0.00 0.00 54.79 53.44 2djm n ASP 42 Cb 0.47 0.00 0.85 0.00 2.34 0.00 0.00 41.12 44.78 2djm n ASP 42 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2djm h GLY 43 N -0.35 0.00 2.00 0.27 0.00 -1.14 0.65 103.07 104.50 2djm h GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2djm h GLY 43 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.54 176.77 2djm h SER 44 N 0.00 0.00 -4.83 0.19 0.87 -1.86 -3.46 113.55 104.46 2djm h SER 44 Ca 0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 2djm h SER 44 Cb 0.22 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 2djm h SER 44 CO 0.00 0.00 -0.49 -0.90 -0.53 0.00 0.00 176.83 174.91 2djm n ASP 45 N -2.54 -4.07 -3.63 6.23 5.68 0.23 -4.89 116.55 113.54 2djm n ASP 45 Ca 0.00 -0.19 -0.12 0.00 -0.50 0.00 0.00 54.79 53.98 2djm n ASP 45 Cb 0.17 -3.38 -0.07 0.00 -1.14 0.00 0.00 41.12 36.70 2djm n ASP 45 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 2djm s ASN 46 N -2.50 -0.62 -0.94 -1.12 3.84 -1.26 -4.91 114.94 107.42 2djm s ASN 46 Ca 0.26 1.19 -0.17 0.00 0.21 0.00 0.00 52.86 54.35 2djm s ASN 46 Cb -0.14 1.21 0.15 0.00 -0.55 0.00 0.00 41.25 41.92 2djm s ASN 46 CO 0.32 -0.20 1.10 0.26 -2.79 0.00 0.00 177.10 175.79 2djm s TRP 47 N 0.34 3.28 -0.19 0.43 0.51 -1.26 -4.63 118.94 117.42 2djm s TRP 47 Ca 0.01 -1.58 -0.04 0.00 -2.12 0.00 0.00 56.10 52.38 2djm s TRP 47 Cb -0.05 -4.21 -0.06 0.00 -0.81 0.00 0.00 33.47 28.34 2djm s TRP 47 CO -0.03 -1.39 2.92 0.09 -0.51 0.00 0.00 176.95 178.03 2djm n ASN 48 N 6.00 5.81 -2.58 2.95 3.02 -1.26 -4.56 115.26 124.63 2djm n ASN 48 Ca 0.24 -2.78 -0.21 0.00 -0.03 0.00 0.00 54.58 51.80 2djm n ASN 48 Cb 0.48 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 2djm n ASN 48 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2djm n ASN 49 N 1.57 -6.00 -4.69 6.41 3.02 -1.26 -4.97 115.26 109.32 2djm n ASN 49 Ca 0.37 -0.10 -0.38 0.00 -0.03 0.00 0.00 54.58 54.44 2djm n ASN 49 Cb 0.70 -4.95 -0.06 0.00 -0.61 0.00 0.00 39.78 34.86 2djm n ASN 49 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2djm s ASN 50 N -2.26 6.60 -1.14 6.41 3.84 -1.26 -4.99 114.94 122.13 2djm s ASN 50 Ca 0.10 0.71 -0.03 0.00 0.21 0.00 0.00 52.86 53.85 2djm s ASN 50 Cb -0.04 -2.27 0.25 0.00 -0.55 0.00 0.00 41.25 38.63 2djm s ASN 50 CO 0.12 -0.07 2.02 0.61 -2.79 0.00 0.00 177.10 176.99 2djm n GLY 51 N 3.57 5.77 3.28 1.21 0.00 -1.26 -4.87 105.19 112.90 2djm n GLY 51 Ca -0.07 -2.39 -0.40 0.00 0.00 0.00 0.00 46.02 43.16 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 0.67 3.97 -4.57 1.61 3.02 -1.26 -4.93 115.26 113.77 2djm n ASN 52 Ca 0.52 -2.82 -0.34 0.00 -0.03 0.00 0.00 54.58 51.90 2djm n ASN 52 Cb 0.26 -1.64 -0.11 0.00 -0.61 0.00 0.00 39.78 37.68 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 5.33 3.89 -0.18 2.41 -1.16 -1.25 -2.47 121.20 127.77 2djm s ILE 53 Ca 0.55 -0.39 -0.00 0.00 -0.51 0.00 0.00 60.65 60.30 2djm s ILE 53 Cb 0.07 -2.64 0.01 0.00 0.61 0.00 0.00 42.46 40.51 2djm s ILE 53 CO 0.05 0.56 -0.15 -0.51 -2.81 0.00 0.00 174.94 172.08 2djm s ILE 54 N -0.39 2.51 0.11 2.00 1.10 0.48 -4.93 121.20 122.08 2djm s ILE 54 Ca 0.06 -0.80 -0.30 0.00 -0.51 0.00 0.00 60.65 59.10 2djm s ILE 54 Cb -0.12 -2.08 -0.06 0.00 0.15 0.00 0.00 42.46 40.35 2djm s ILE 54 CO 0.02 0.51 1.01 0.00 -2.11 0.00 0.00 174.94 174.37 2djm s ALA 55 N 1.16 3.27 0.51 1.50 0.00 -1.26 -0.79 121.76 126.15 2djm s ALA 55 Ca 0.01 0.64 -0.05 0.00 0.00 0.00 0.00 51.96 52.56 2djm s ALA 55 Cb -0.14 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2djm s ALA 55 CO -0.06 -0.12 0.81 0.00 0.00 0.00 0.00 175.76 176.39 2djm s ALA 56 N 0.14 3.38 0.50 0.00 0.00 -0.55 -4.96 121.76 120.27 2djm s ALA 56 Ca 0.49 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.94 2djm s ALA 56 Cb -0.25 -2.59 -0.00 0.00 0.00 0.00 0.00 23.12 20.28 2djm s ALA 56 CO 0.31 -0.46 0.21 -1.12 0.00 0.00 0.00 175.76 174.69 2djm s SER 57 N -4.16 4.40 0.02 0.00 0.01 -1.00 -4.79 113.70 108.18 2djm s SER 57 Ca 0.49 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 56.42 2djm s SER 57 Cb -0.10 0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 2djm s SER 57 CO 0.45 -0.86 -0.03 0.72 0.41 0.00 0.00 173.24 173.93 2djm s PHE 58 N -2.76 0.25 -0.06 2.43 -0.71 -1.26 0.05 117.98 115.92 2djm s PHE 58 Ca 0.27 -0.35 -0.01 0.00 -1.04 0.00 0.00 56.93 55.80 2djm s PHE 58 Cb 0.01 -0.17 -0.26 0.00 -1.21 0.00 0.00 43.02 41.39 2djm s PHE 58 CO 0.15 -0.11 0.60 1.03 -1.34 0.00 0.00 175.22 175.55 2djm h SER 59 N 5.15 0.31 -3.31 1.98 0.87 -0.45 -3.45 113.55 114.65 2djm h SER 59 Ca -0.30 -0.58 0.00 0.00 -1.23 0.00 0.00 61.79 59.68 2djm h SER 59 Cb 1.21 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2djm h SER 59 CO 0.44 1.51 0.00 0.61 -0.53 0.00 0.00 176.83 178.87 2djm n GLY 60 N 1.78 0.53 3.76 5.77 0.00 -1.08 -5.01 105.19 110.95 2djm n GLY 60 Ca -0.23 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 2djm n GLY 60 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2djm s PRO 61 N -1.83 4.30 -0.48 1.61 0.02 -1.26 -0.97 135.00 136.40 2djm s PRO 61 Ca 0.00 2.27 -0.28 0.00 0.02 0.00 0.00 61.00 63.01 2djm s PRO 61 Cb 0.00 -3.08 0.03 0.00 0.02 0.00 0.00 34.50 31.47 2djm s PRO 61 CO 0.00 -0.30 1.09 0.42 -0.33 0.00 0.00 177.00 177.88 2djm s ILE 62 N -0.74 4.26 0.25 2.83 1.01 0.92 -4.89 121.20 124.84 2djm s ILE 62 Ca 0.53 1.09 -0.30 0.00 0.00 0.00 0.00 60.65 61.97 2djm s ILE 62 Cb -0.41 -4.57 -0.10 0.00 0.01 0.00 0.00 42.46 37.39 2djm s ILE 62 CO 0.50 -0.99 1.42 -0.94 0.00 0.00 0.00 174.94 174.94 2djm s SER 63 N 2.44 6.67 0.00 3.58 1.04 -1.26 -1.76 113.70 124.42 2djm s SER 63 Ca 0.45 2.66 0.00 0.00 0.48 0.00 0.00 55.95 59.54 2djm s SER 63 Cb -0.08 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.42 2djm s SER 63 CO 0.30 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2djm n GLY 64 N 2.06 1.02 3.24 7.32 0.00 -1.26 -5.01 105.19 112.56 2djm n GLY 64 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.96 0.38 -0.62 1.61 0.01 -0.72 -5.06 113.70 106.35 2djm s SER 65 Ca 0.00 -1.42 0.01 0.00 1.31 0.00 0.00 55.95 55.85 2djm s SER 65 Cb 0.00 0.42 0.41 0.00 0.21 0.00 0.00 66.02 67.06 2djm s SER 65 CO 0.00 -0.90 1.66 0.59 0.41 0.00 0.00 173.24 175.01 2djm n ASN 66 N -0.49 6.44 -4.46 2.44 3.02 -1.26 -4.64 115.26 116.31 2djm n ASN 66 Ca 0.03 -3.78 -0.25 0.00 -0.03 0.00 0.00 54.58 50.54 2djm n ASN 66 Cb 0.65 -0.78 -0.10 0.00 -0.61 0.00 0.00 39.78 38.94 2djm n ASN 66 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2djm s TYR 67 N -3.81 2.04 0.37 3.10 1.51 -1.26 -4.07 117.35 115.22 2djm s TYR 67 Ca 0.54 -0.96 0.08 0.00 -1.01 0.00 0.00 57.07 55.72 2djm s TYR 67 Cb 0.44 -1.40 -0.07 0.00 -0.11 0.00 0.00 41.96 40.82 2djm s TYR 67 CO -0.20 0.07 -0.05 -2.00 -1.11 0.00 0.00 175.55 172.26 2djm s GLU 68 N -3.82 1.86 -0.06 -0.62 2.12 0.20 -0.06 118.70 118.32 2djm s GLU 68 Ca 0.31 -2.00 -0.02 0.00 0.36 0.00 0.00 54.97 53.61 2djm s GLU 68 Cb 0.07 -1.64 0.04 0.00 0.26 0.00 0.00 34.13 32.86 2djm s GLU 68 CO 0.14 0.05 0.10 -0.47 -0.54 0.00 0.00 175.26 174.55 2djm s TYR 69 N -2.68 -0.05 0.06 5.30 5.04 -0.14 -2.36 117.35 122.52 2djm s TYR 69 Ca 0.33 0.40 0.09 0.00 -2.44 0.00 0.00 57.07 55.45 2djm s TYR 69 Cb 0.06 -0.34 -0.03 0.00 0.35 0.00 0.00 41.96 41.99 2djm s TYR 69 CO 0.17 -0.21 -0.23 -1.58 -1.34 0.00 0.00 175.55 172.36 2djm s TRP 70 N 2.04 2.41 -0.08 4.97 0.52 0.22 0.32 118.94 129.34 2djm s TRP 70 Ca 0.02 -0.35 -0.10 0.00 0.02 0.00 0.00 56.10 55.70 2djm s TRP 70 Cb -0.12 -1.40 0.02 0.00 -1.15 0.00 0.00 33.47 30.82 2djm s TRP 70 CO -0.04 0.21 0.25 0.95 0.02 0.00 0.00 176.95 178.34 2djm s THR 71 N -0.89 0.02 -0.16 2.01 -4.23 0.11 0.02 115.64 112.50 2djm s THR 71 Ca 0.13 -0.14 -0.34 0.00 -1.18 0.00 0.00 61.69 60.17 2djm s THR 71 Cb -0.10 -0.41 0.13 0.00 1.34 0.00 0.00 72.50 73.46 2djm s THR 71 CO 0.04 -0.08 1.16 0.72 -0.54 0.00 0.00 174.62 175.93 2djm s PHE 72 N -0.22 -0.16 0.03 3.99 -0.71 -0.80 -2.37 117.98 117.74 2djm s PHE 72 Ca -0.03 0.11 0.08 0.00 -1.04 0.00 0.00 56.93 56.04 2djm s PHE 72 Cb -0.03 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.27 2djm s PHE 72 CO 0.01 -0.25 -0.21 -1.54 -1.34 0.00 0.00 175.22 171.88 2djm s SER 73 N -2.17 3.53 -0.23 1.98 1.04 -1.26 -1.84 113.70 114.76 2djm s SER 73 Ca 0.08 -0.47 -0.04 0.00 0.48 0.00 0.00 55.95 56.01 2djm s SER 73 Cb -0.01 -0.49 0.09 0.00 0.10 0.00 0.00 66.02 65.70 2djm s SER 73 CO -0.05 0.27 0.16 0.00 0.98 0.00 0.00 173.24 174.60 2djm s ALA 74 N -0.84 0.18 -0.35 5.32 0.00 0.39 -4.95 121.76 121.50 2djm s ALA 74 Ca 0.13 -0.37 -0.28 0.00 0.00 0.00 0.00 51.96 51.44 2djm s ALA 74 Cb -0.10 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 2djm s ALA 74 CO 0.03 -1.38 1.78 0.45 0.00 0.00 0.00 175.76 176.64 2djm s SER 75 N 2.21 5.88 0.16 0.00 0.15 -1.26 0.93 113.70 121.77 2djm s SER 75 Ca 0.06 1.20 0.03 0.00 0.70 0.00 0.00 55.95 57.94 2djm s SER 75 Cb -0.16 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.59 2djm s SER 75 CO -0.20 -1.74 0.28 0.68 1.20 0.00 0.00 173.24 173.46 2djm s VAL 76 N 6.95 5.24 -0.18 4.45 -7.23 -1.26 -4.92 120.40 123.45 2djm s VAL 76 Ca 0.78 -0.76 0.18 0.00 -1.81 0.00 0.00 61.98 60.36 2djm s VAL 76 Cb -0.21 -3.72 -0.02 0.00 0.56 0.00 0.00 36.38 33.00 2djm s VAL 76 CO 0.33 -0.12 1.11 0.11 -0.31 0.00 0.00 175.10 176.21 2djm h LYS 77 N 2.04 0.00 0.00 4.82 1.57 -1.97 -3.47 116.57 119.55 2djm h LYS 77 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2djm h LYS 77 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2djm h LYS 77 CO 0.67 0.27 0.00 0.41 -0.57 0.00 0.00 179.45 180.24 2djm n GLY 78 N 1.28 1.88 3.51 3.86 0.00 -1.26 -4.90 105.19 109.56 2djm n GLY 78 Ca -0.03 0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 3.37 -0.04 -0.61 2.07 -1.26 -0.50 121.20 124.22 2djm s ILE 79 Ca 0.00 -0.60 -0.01 0.00 -1.41 0.00 0.00 60.65 58.63 2djm s ILE 79 Cb 0.00 -2.37 -0.02 0.00 0.13 0.00 0.00 42.46 40.20 2djm s ILE 79 CO 0.00 0.58 -0.05 0.29 -1.91 0.00 0.00 174.94 173.85 2djm n LYS 80 N 2.51 0.09 -3.86 3.50 4.76 -0.44 -4.00 118.16 120.73 2djm n LYS 80 Ca -0.18 0.03 -0.10 0.00 -2.87 0.00 0.00 58.31 55.19 2djm n LYS 80 Cb 0.53 -0.76 -0.09 0.00 -1.84 0.00 0.00 35.03 32.87 2djm n LYS 80 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2djm s GLU 81 N -2.08 0.65 0.09 1.97 0.41 -1.15 0.59 118.70 119.19 2djm s GLU 81 Ca -0.06 -0.60 -0.22 0.00 -0.41 0.00 0.00 54.97 53.68 2djm s GLU 81 Cb 0.02 0.27 0.08 0.00 -1.78 0.00 0.00 34.13 32.72 2djm s GLU 81 CO 0.08 -0.18 1.04 1.97 -0.49 0.00 0.00 175.26 177.68 2djm n PHE 82 N 0.81 -0.89 -3.62 1.61 -1.74 -0.82 0.52 117.46 113.33 2djm n PHE 82 Ca -0.19 -0.94 -0.09 0.00 -0.56 0.00 0.00 57.45 55.67 2djm n PHE 82 Cb 0.58 0.45 -0.02 0.00 1.52 0.00 0.00 39.48 42.01 2djm n PHE 82 CO 0.00 0.00 0.00 1.52 -0.56 0.00 0.00 176.76 177.72 2djm s TYR 83 N -2.29 -0.33 -0.03 2.97 -0.85 -1.05 -1.37 117.35 114.39 2djm s TYR 83 Ca 0.24 0.04 -0.01 0.00 -0.52 0.00 0.00 57.07 56.82 2djm s TYR 83 Cb -0.02 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 42.90 2djm s TYR 83 CO 0.03 -0.92 0.08 0.42 -1.52 0.00 0.00 175.55 173.63 2djm s ILE 84 N -3.63 4.76 -0.18 -3.49 -1.09 -0.53 -2.65 121.20 114.39 2djm s ILE 84 Ca 0.07 -0.33 -0.07 0.00 -2.23 0.00 0.00 60.65 58.09 2djm s ILE 84 Cb -0.03 -3.14 -0.04 0.00 -1.58 0.00 0.00 42.46 37.67 2djm s ILE 84 CO -0.04 0.41 0.04 -0.54 -1.23 0.00 0.00 174.94 173.58 2djm s LYS 85 N -1.57 3.91 -0.49 2.79 1.02 -0.26 -0.97 119.74 124.18 2djm s LYS 85 Ca 0.21 -0.38 -0.13 0.00 0.02 0.00 0.00 55.97 55.69 2djm s LYS 85 Cb -0.12 -3.15 0.10 0.00 -0.52 0.00 0.00 37.83 34.15 2djm s LYS 85 CO 0.12 0.27 0.40 -0.47 -0.92 0.00 0.00 175.35 174.75 2djm s TYR 86 N 0.35 3.30 -0.16 3.18 5.04 -1.00 -2.66 117.35 125.40 2djm s TYR 86 Ca 0.02 -1.36 -0.04 0.00 -2.44 0.00 0.00 57.07 53.24 2djm s TYR 86 Cb -0.13 -3.43 -0.03 0.00 0.35 0.00 0.00 41.96 38.73 2djm s TYR 86 CO 0.01 -0.93 -0.03 -2.00 -1.34 0.00 0.00 175.55 171.26 2djm s GLU 87 N 1.53 3.69 0.34 4.97 2.12 -0.75 -0.42 118.70 130.17 2djm s GLU 87 Ca 0.04 -0.51 0.08 0.00 0.36 0.00 0.00 54.97 54.94 2djm s GLU 87 Cb -0.27 -2.95 -0.07 0.00 0.26 0.00 0.00 34.13 31.11 2djm s GLU 87 CO 0.03 0.22 -0.05 0.08 -0.54 0.00 0.00 175.26 175.00 2djm s VAL 88 N 0.43 1.95 -0.19 3.70 1.01 0.77 0.31 120.40 128.38 2djm s VAL 88 Ca -0.03 -2.12 0.00 0.00 0.00 0.00 0.00 61.98 59.83 2djm s VAL 88 Cb -0.14 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.55 2djm s VAL 88 CO 0.03 -0.16 0.29 -1.54 0.00 0.00 0.00 175.10 173.71 2djm n SER 89 N -0.77 0.84 0.00 3.32 3.41 -1.17 -3.48 113.62 115.77 2djm n SER 89 Ca -0.05 -0.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.92 2djm n SER 89 Cb 0.64 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2djm n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2djm n GLY 90 N 0.74 0.50 3.93 5.00 0.00 -1.26 -5.13 105.19 108.97 2djm n GLY 90 Ca 0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 3.00 -0.09 1.61 3.01 -1.23 -5.13 119.74 120.92 2djm s LYS 91 Ca 0.00 -1.09 -0.11 0.00 -1.01 0.00 0.00 55.97 53.76 2djm s LYS 91 Cb 0.00 -2.70 0.03 0.00 -1.01 0.00 0.00 37.83 34.15 2djm s LYS 91 CO 0.00 0.12 0.30 0.99 0.51 0.00 0.00 175.35 177.27 2djm s THR 92 N -2.20 0.02 0.00 2.17 2.01 -1.26 -0.16 115.64 116.22 2djm s THR 92 Ca 0.42 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.27 2djm s THR 92 Cb -0.08 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 71.95 2djm s THR 92 CO 0.29 -0.08 0.00 -1.22 -0.69 0.00 0.00 174.62 172.92 2djm n TYR 93 N 2.44 -0.06 -3.71 4.92 4.01 0.44 -5.02 117.16 120.19 2djm n TYR 93 Ca -0.15 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.47 2djm n TYR 93 Cb 0.57 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.50 2djm n TYR 93 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2djm s TYR 94 N -2.24 -0.55 -0.44 -0.72 5.04 -1.26 -2.37 117.35 114.81 2djm s TYR 94 Ca 0.00 1.23 0.03 0.00 -2.44 0.00 0.00 57.07 55.89 2djm s TYR 94 Cb 0.00 0.23 0.12 0.00 0.35 0.00 0.00 41.96 42.65 2djm s TYR 94 CO 0.00 -0.30 0.18 0.34 -1.34 0.00 0.00 175.55 174.43 2djm s ASP 95 N 0.95 4.64 -0.14 4.32 2.15 -0.14 -4.90 116.67 123.54 2djm s ASP 95 Ca -0.06 -2.58 0.15 0.00 0.43 0.00 0.00 52.55 50.49 2djm s ASP 95 Cb -0.06 -1.66 0.37 0.00 -0.30 0.00 0.00 42.92 41.27 2djm s ASP 95 CO -0.08 -0.32 1.18 -0.46 -0.17 0.00 0.00 175.17 175.32 2djm n ASN 96 N 3.71 1.57 0.00 -0.34 6.94 -1.26 -1.45 115.26 124.43 2djm n ASN 96 Ca 0.04 -3.26 0.00 0.00 -0.02 0.00 0.00 54.58 51.35 2djm n ASN 96 Cb 0.37 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 2djm n ASN 96 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2djm n ASN 97 N -0.77 0.00 0.00 0.53 4.13 -1.26 -2.26 115.26 115.62 2djm n ASN 97 Ca 0.15 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.41 2djm n ASN 97 Cb 0.78 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.02 2djm n ASN 97 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2djm n ASN 98 N 2.41 0.00 -0.86 6.41 4.05 -1.26 -4.91 115.26 121.09 2djm n ASN 98 Ca 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 54.58 54.98 2djm n ASN 98 Cb 0.00 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 40.96 2djm n ASN 98 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 2djm n SER 99 N 0.00 -0.73 -0.10 1.20 3.41 -1.18 -5.00 113.62 111.22 2djm n SER 99 Ca 0.00 -1.49 -0.13 0.00 -0.26 0.00 0.00 58.87 57.00 2djm n SER 99 Cb 0.00 0.22 -0.10 0.00 -0.26 0.00 0.00 64.21 64.07 2djm n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2djm n ALA 100 N 0.00 1.57 -2.78 7.33 0.00 -0.96 -5.09 120.51 120.58 2djm n ALA 100 Ca -0.21 -0.92 -0.02 0.00 0.00 0.00 0.00 53.44 52.30 2djm n ALA 100 Cb 0.58 -0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 2djm n ALA 100 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2djm n ASN 101 N -2.97 -4.67 -4.61 0.00 6.94 -1.01 -4.63 115.26 104.31 2djm n ASN 101 Ca -0.34 1.15 -0.53 0.00 -0.02 0.00 0.00 54.58 54.84 2djm n ASN 101 Cb 0.92 -2.95 -0.07 0.00 -2.36 0.00 0.00 39.78 35.32 2djm n ASN 101 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2djm n TYR 102 N 2.19 1.97 -3.12 -2.53 4.02 -0.47 -4.12 117.16 115.10 2djm n TYR 102 Ca -0.14 0.31 -0.40 0.00 -0.01 0.00 0.00 57.90 57.66 2djm n TYR 102 Cb 0.21 -2.54 -0.06 0.00 -0.02 0.00 0.00 39.34 36.94 2djm n TYR 102 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 2djm s GLN 103 N 4.64 4.26 0.08 -0.72 0.00 -1.26 -1.95 119.66 124.72 2djm s GLN 103 Ca 1.01 0.65 -0.04 0.00 -0.00 0.00 0.00 55.36 56.99 2djm s GLN 103 Cb -0.90 -3.55 -0.05 0.00 0.00 0.00 0.00 33.01 28.51 2djm s GLN 103 CO 0.57 -0.17 0.30 0.08 0.00 0.00 0.00 175.29 176.07 2djm s VAL 104 N 1.65 5.27 -1.16 3.63 1.01 0.20 -4.96 120.40 126.03 2djm s VAL 104 Ca 0.30 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 2djm s VAL 104 Cb -0.16 -3.61 0.24 0.00 0.00 0.00 0.00 36.38 32.85 2djm s VAL 104 CO 0.11 0.15 1.45 -1.20 0.00 0.00 0.00 175.10 175.61 2djm n SER 105 N 0.40 5.61 -0.34 3.32 7.64 -1.26 -4.63 113.62 124.35 2djm n SER 105 Ca -0.05 -3.14 0.04 0.00 1.01 0.00 0.00 58.87 56.73 2djm n SER 105 Cb 0.52 -1.42 0.04 0.00 -1.01 0.00 0.00 64.21 62.34 2djm n SER 105 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44