#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 5.84 -0.11 0.00 0.01 -1.26 -4.98 113.70 113.20 2djm s SER 2 Ca 0.00 -0.71 -0.18 0.00 1.31 0.00 0.00 55.95 56.36 2djm s SER 2 Cb 0.00 -2.07 -0.16 0.00 0.21 0.00 0.00 66.02 64.00 2djm s SER 2 CO 0.00 -0.31 0.54 0.40 0.41 0.00 0.00 173.24 174.27 2djm h ILE 3 N 5.67 1.08 -2.17 1.44 1.08 -2.02 -3.46 117.51 119.13 2djm h ILE 3 Ca -0.29 -1.73 -0.63 0.00 -0.39 0.00 0.00 64.86 61.82 2djm h ILE 3 Cb 1.13 2.01 0.08 0.00 -3.07 0.00 0.00 36.82 36.98 2djm h ILE 3 CO 0.66 0.35 0.32 -2.65 -0.69 0.00 0.00 178.15 176.15 2djm n PRO 4 N -4.71 1.38 0.13 2.37 -0.02 -1.26 -4.82 135.00 128.06 2djm n PRO 4 Ca -0.06 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2djm n PRO 4 Cb 0.29 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 1.94 -1.80 0.19 2.55 2.88 -1.26 -4.99 113.62 113.14 2djm n SER 5 Ca 0.13 0.49 -0.08 0.00 -1.33 0.00 0.00 58.87 58.08 2djm n SER 5 Cb 0.27 1.84 -0.04 0.00 -0.75 0.00 0.00 64.21 65.53 2djm n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2djm h SER 6 N 0.00 -0.45 0.00 -3.46 0.02 -1.88 -3.49 113.55 104.29 2djm h SER 6 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2djm h SER 6 Cb 0.00 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2djm h SER 6 CO 0.00 -0.15 0.00 0.00 -1.14 0.00 0.00 176.83 175.54 2djm n ALA 7 N -2.53 0.00 0.26 3.77 0.00 -1.26 -4.99 120.51 115.76 2djm n ALA 7 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.50 2djm n ALA 7 Cb 0.21 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.39 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 0.00 -3.97 0.00 0.02 -1.95 -3.44 113.55 104.21 2djm h SER 8 Ca 0.00 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.54 2djm h SER 8 Cb 0.00 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.36 2djm h SER 8 CO 0.00 0.12 -0.75 0.54 -1.14 0.00 0.00 176.83 175.59 2djm s VAL 9 N -4.20 1.36 -0.06 2.27 0.11 -1.26 -0.69 120.40 117.92 2djm s VAL 9 Ca -0.03 -1.78 -0.04 0.00 -2.93 0.00 0.00 61.98 57.19 2djm s VAL 9 Cb 0.13 -1.60 0.02 0.00 -1.53 0.00 0.00 36.38 33.40 2djm s VAL 9 CO 0.58 -0.45 0.14 -1.58 -3.33 0.00 0.00 175.10 170.46 2djm s GLN 10 N -2.82 0.15 0.03 1.54 0.74 0.82 -4.65 119.66 115.46 2djm s GLN 10 Ca 0.11 0.23 -0.30 0.00 0.05 0.00 0.00 55.36 55.44 2djm s GLN 10 Cb -0.04 0.03 -0.06 0.00 1.10 0.00 0.00 33.01 34.04 2djm s GLN 10 CO 0.03 -0.05 1.39 -1.17 -0.55 0.00 0.00 175.29 174.94 2djm s LEU 11 N 0.30 4.33 -0.04 3.68 2.96 -1.26 -1.12 118.68 127.52 2djm s LEU 11 Ca -0.02 2.15 -0.09 0.00 -0.22 0.00 0.00 54.13 55.96 2djm s LEU 11 Cb -0.03 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 2djm s LEU 11 CO -0.01 -0.69 0.42 -0.78 -1.32 0.00 0.00 176.35 173.97 2djm h ASP 12 N 7.55 -0.26 0.00 3.68 1.82 -1.83 -3.45 116.42 123.92 2djm h ASP 12 Ca -0.39 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.26 2djm h ASP 12 Cb 1.19 0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.27 2djm h ASP 12 CO 0.89 0.09 0.00 -1.54 -1.61 0.00 0.00 179.24 177.07 2djm n SER 13 N -4.37 0.00 -3.51 2.28 3.41 -1.00 -5.04 113.62 105.40 2djm n SER 13 Ca -0.04 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.46 2djm n SER 13 Cb 0.12 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 2djm n SER 13 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2djm s TYR 14 N -2.00 -0.41 0.25 7.33 -0.85 -1.26 -0.54 117.35 119.87 2djm s TYR 14 Ca 0.00 0.16 0.07 0.00 -0.52 0.00 0.00 57.07 56.78 2djm s TYR 14 Cb 0.00 0.46 -0.05 0.00 0.38 0.00 0.00 41.96 42.75 2djm s TYR 14 CO 0.00 -0.81 -0.09 1.21 -1.52 0.00 0.00 175.55 174.34 2djm s ASN 15 N -2.77 2.68 -0.03 -0.18 3.04 0.13 -4.94 114.94 112.86 2djm s ASN 15 Ca 0.02 -1.14 -0.19 0.00 0.04 0.00 0.00 52.86 51.59 2djm s ASN 15 Cb -0.00 -0.15 0.04 0.00 -1.54 0.00 0.00 41.25 39.59 2djm s ASN 15 CO -0.12 -0.29 0.42 -0.47 -3.04 0.00 0.00 177.10 173.60 2djm s TYR 16 N -3.01 -0.32 -0.30 0.43 5.04 -1.25 -2.40 117.35 115.54 2djm s TYR 16 Ca 0.27 0.54 -0.17 0.00 -2.44 0.00 0.00 57.07 55.26 2djm s TYR 16 Cb 0.02 0.18 0.21 0.00 0.35 0.00 0.00 41.96 42.73 2djm s TYR 16 CO 0.10 -0.44 1.30 0.34 -1.34 0.00 0.00 175.55 175.51 2djm s ASP 17 N -1.23 -0.01 1.51 4.32 2.15 -1.23 -4.96 116.67 117.21 2djm s ASP 17 Ca -0.12 0.02 0.00 0.00 0.43 0.00 0.00 52.55 52.88 2djm s ASP 17 Cb -0.04 1.01 0.00 0.00 -0.30 0.00 0.00 42.92 43.59 2djm s ASP 17 CO 0.06 -0.00 0.00 0.61 -0.17 0.00 0.00 175.17 175.66 2djm n GLY 18 N 3.59 0.95 2.60 2.66 0.00 -1.26 -2.59 105.19 111.13 2djm n GLY 18 Ca -0.13 0.46 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 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 3.07 -0.12 1.61 0.01 -1.26 -5.04 113.70 107.97 2djm s SER 19 Ca 0.00 -2.80 -0.09 0.00 1.31 0.00 0.00 55.95 54.37 2djm s SER 19 Cb 0.00 -0.82 0.04 0.00 0.21 0.00 0.00 66.02 65.45 2djm s SER 19 CO 0.00 -0.23 0.29 -0.89 0.41 0.00 0.00 173.24 172.83 2djm s THR 20 N 0.20 -0.01 -0.04 1.44 2.01 -1.07 -4.35 115.64 113.82 2djm s THR 20 Ca 0.23 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.33 2djm s THR 20 Cb -0.14 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 71.92 2djm s THR 20 CO -0.07 0.02 -0.20 0.12 -0.69 0.00 0.00 174.62 173.80 2djm s PHE 21 N 0.61 2.52 -0.24 4.92 2.19 0.96 -3.52 117.98 125.42 2djm s PHE 21 Ca -0.04 -0.37 -0.03 0.00 0.33 0.00 0.00 56.93 56.82 2djm s PHE 21 Cb -0.05 -1.58 0.13 0.00 -1.31 0.00 0.00 43.02 40.20 2djm s PHE 21 CO -0.04 0.02 0.35 -1.54 1.83 0.00 0.00 175.22 175.84 2djm s SER 22 N -0.55 0.47 0.05 6.13 1.04 -1.01 0.67 113.70 120.50 2djm s SER 22 Ca 0.08 0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.67 2djm s SER 22 Cb -0.11 0.97 -0.03 0.00 0.10 0.00 0.00 66.02 66.95 2djm s SER 22 CO 0.01 -0.31 -0.10 -0.83 0.98 0.00 0.00 173.24 172.99 2djm s GLY 23 N 2.50 0.64 0.03 7.32 0.00 0.47 0.19 107.32 118.48 2djm s GLY 23 Ca 0.12 -0.84 -0.01 0.00 0.00 0.00 0.00 44.72 43.99 2djm s GLY 23 CO -0.15 -0.87 -0.02 -1.59 0.00 0.00 0.00 173.10 170.47 2djm s LYS 24 N -1.57 0.46 0.08 2.90 -2.85 0.29 -0.16 119.74 118.89 2djm s LYS 24 Ca -0.06 -0.88 0.03 0.00 -1.00 0.00 0.00 55.97 54.05 2djm s LYS 24 Cb -0.10 0.16 -0.03 0.00 -2.06 0.00 0.00 37.83 35.80 2djm s LYS 24 CO 0.01 -0.08 -0.08 0.42 0.10 0.00 0.00 175.35 175.71 2djm s ILE 25 N -2.61 0.72 -0.34 3.79 1.01 0.14 -2.38 121.20 121.53 2djm s ILE 25 Ca -0.05 -1.51 0.03 0.00 0.00 0.00 0.00 60.65 59.11 2djm s ILE 25 Cb -0.02 -1.17 0.10 0.00 0.01 0.00 0.00 42.46 41.38 2djm s ILE 25 CO -0.05 -0.58 0.08 -0.47 0.00 0.00 0.00 174.94 173.91 2djm s TYR 26 N -2.38 3.18 0.04 3.97 6.14 -0.28 -1.27 117.35 126.76 2djm s TYR 26 Ca 0.01 -2.68 0.02 0.00 0.64 0.00 0.00 57.07 55.06 2djm s TYR 26 Cb -0.03 -2.59 -0.02 0.00 0.42 0.00 0.00 41.96 39.73 2djm s TYR 26 CO -0.01 -0.92 -0.07 0.14 0.64 0.00 0.00 175.55 175.32 2djm s VAL 27 N 1.01 0.51 0.30 3.14 -7.23 -1.08 -0.13 120.40 116.93 2djm s VAL 27 Ca 0.11 -1.06 -0.25 0.00 -1.81 0.00 0.00 61.98 58.97 2djm s VAL 27 Cb -0.19 -0.58 -0.09 0.00 0.56 0.00 0.00 36.38 36.07 2djm s VAL 27 CO -0.12 -0.39 0.90 -0.75 -0.31 0.00 0.00 175.10 174.43 2djm s LYS 28 N -1.56 4.52 -0.62 4.82 2.20 0.13 -0.23 119.74 129.00 2djm s LYS 28 Ca -0.10 1.24 -0.26 0.00 -0.36 0.00 0.00 55.97 56.48 2djm s LYS 28 Cb -0.10 -2.84 0.04 0.00 -1.51 0.00 0.00 37.83 33.42 2djm s LYS 28 CO 0.00 0.32 1.11 0.54 -0.36 0.00 0.00 175.35 176.96 2djm s ASN 29 N -1.60 6.31 -0.11 1.43 4.22 -1.26 -4.84 114.94 119.09 2djm s ASN 29 Ca 0.48 -0.30 -0.03 0.00 -2.14 0.00 0.00 52.86 50.87 2djm s ASN 29 Cb -0.18 -2.50 -0.02 0.00 1.28 0.00 0.00 41.25 39.82 2djm s ASN 29 CO 0.23 -1.48 0.02 0.40 -2.04 0.00 0.00 177.10 174.23 2djm h ILE 30 N 6.06 0.12 -1.05 0.54 1.08 -1.97 -3.49 117.51 118.80 2djm h ILE 30 Ca -0.26 -1.09 0.00 0.00 -0.39 0.00 0.00 64.86 63.11 2djm h ILE 30 Cb 1.06 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 2djm h ILE 30 CO 1.18 0.04 0.00 0.00 -0.69 0.00 0.00 178.15 178.68 2djm n ALA 31 N -2.91 0.00 -0.07 1.87 0.00 -1.26 -5.10 120.51 113.03 2djm n ALA 31 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 2djm n ALA 31 Cb 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.42 0.00 9.36 -1.26 -4.78 117.16 118.06 2djm n TYR 32 Ca 0.00 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.84 2djm n TYR 32 Cb 0.00 -0.55 -0.02 0.00 -0.63 0.00 0.00 39.34 38.14 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 -5.87 6.25 0.14 2.98 0.15 -1.26 -4.92 113.70 111.17 2djm s SER 33 Ca -0.20 -2.00 0.07 0.00 0.70 0.00 0.00 55.95 54.52 2djm s SER 33 Cb 0.07 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 2djm s SER 33 CO 0.30 -1.78 -0.02 -0.54 1.20 0.00 0.00 173.24 172.40 2djm s LYS 34 N 5.05 2.39 -0.18 5.44 1.02 -1.26 -1.92 119.74 130.28 2djm s LYS 34 Ca 0.57 -1.02 -0.05 0.00 0.02 0.00 0.00 55.97 55.50 2djm s LYS 34 Cb 0.02 -2.40 0.07 0.00 -0.52 0.00 0.00 37.83 35.00 2djm s LYS 34 CO 0.06 0.49 0.15 -1.59 -0.92 0.00 0.00 175.35 173.54 2djm s LYS 35 N -2.62 0.12 -0.19 1.68 -2.85 0.10 -4.99 119.74 110.99 2djm s LYS 35 Ca 0.26 0.05 -0.18 0.00 -1.00 0.00 0.00 55.97 55.10 2djm s LYS 35 Cb -0.10 -1.54 -0.03 0.00 -2.06 0.00 0.00 37.83 34.09 2djm s LYS 35 CO 0.18 -0.66 0.50 0.08 0.10 0.00 0.00 175.35 175.54 2djm s VAL 36 N 2.22 5.13 -0.18 1.79 1.01 -1.26 -2.51 120.40 126.60 2djm s VAL 36 Ca 0.04 0.91 0.01 0.00 0.00 0.00 0.00 61.98 62.94 2djm s VAL 36 Cb -0.16 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.43 2djm s VAL 36 CO -0.10 0.20 -0.14 0.42 0.00 0.00 0.00 175.10 175.48 2djm s THR 37 N 1.52 1.73 0.31 3.92 -4.23 -1.08 -0.15 115.64 117.66 2djm s THR 37 Ca 0.23 -0.89 -0.28 0.00 -1.18 0.00 0.00 61.69 59.57 2djm s THR 37 Cb -0.15 -1.69 -0.09 0.00 1.34 0.00 0.00 72.50 71.90 2djm s THR 37 CO 0.09 0.34 1.12 -0.69 -0.54 0.00 0.00 174.62 174.94 2djm s VAL 38 N 1.39 3.41 -0.33 2.29 1.01 -0.05 -1.19 120.40 126.94 2djm s VAL 38 Ca 0.02 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.37 2djm s VAL 38 Cb -0.15 -3.83 0.10 0.00 0.00 0.00 0.00 36.38 32.51 2djm s VAL 38 CO -0.10 0.27 0.07 0.68 0.00 0.00 0.00 175.10 176.01 2djm s VAL 39 N -1.25 1.74 -0.14 2.92 -7.23 -1.07 -1.26 120.40 114.11 2djm s VAL 39 Ca 0.48 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 2djm s VAL 39 Cb -0.31 -2.29 0.01 0.00 0.56 0.00 0.00 36.38 34.34 2djm s VAL 39 CO 0.40 -0.62 -0.21 -0.72 -0.31 0.00 0.00 175.10 173.64 2djm s TYR 40 N 1.18 2.67 0.33 2.82 -0.85 -1.10 -1.59 117.35 120.81 2djm s TYR 40 Ca 0.10 -1.22 -0.13 0.00 -0.52 0.00 0.00 57.07 55.30 2djm s TYR 40 Cb -0.18 -1.81 -0.08 0.00 0.38 0.00 0.00 41.96 40.27 2djm s TYR 40 CO -0.15 -0.55 0.72 0.00 -1.52 0.00 0.00 175.55 174.06 2djm s ALA 41 N 0.72 3.36 1.12 9.51 0.00 0.42 -4.84 121.76 132.05 2djm s ALA 41 Ca -0.09 -0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.63 2djm s ALA 41 Cb -0.16 -2.71 0.26 0.00 0.00 0.00 0.00 23.12 20.51 2djm s ALA 41 CO 0.00 0.28 1.17 -0.51 0.00 0.00 0.00 175.76 176.70 2djm s ASP 42 N -2.49 1.65 0.00 0.00 1.11 -1.26 -0.36 116.67 115.32 2djm s ASP 42 Ca 0.53 0.55 0.00 0.00 0.18 0.00 0.00 52.55 53.80 2djm s ASP 42 Cb -0.10 -0.75 0.00 0.00 1.07 0.00 0.00 42.92 43.14 2djm s ASP 42 CO 0.21 -3.67 1.13 0.61 1.18 0.00 0.00 175.17 174.63 2djm n GLY 43 N -1.80 1.83 0.00 0.21 0.00 -0.16 -2.02 105.19 103.25 2djm n GLY 43 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 0.97 0.53 -1.71 1.61 2.88 -1.26 -4.97 113.62 111.67 2djm n SER 44 Ca 0.00 -0.66 -0.00 0.00 -1.33 0.00 0.00 58.87 56.88 2djm n SER 44 Cb 0.41 1.02 -0.00 0.00 -0.75 0.00 0.00 64.21 64.89 2djm n SER 44 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2djm n ASP 45 N -1.22 -2.87 0.00 -3.46 -0.08 -0.86 -5.03 116.55 103.03 2djm n ASP 45 Ca 0.01 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 2djm n ASP 45 Cb 0.13 -1.75 0.00 0.00 2.34 0.00 0.00 41.12 41.85 2djm n ASP 45 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2djm n ASN 46 N 0.14 0.00 -4.68 1.67 2.85 -1.26 -4.91 115.26 109.07 2djm n ASN 46 Ca -0.01 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.04 2djm n ASN 46 Cb 0.01 0.41 -0.03 0.00 1.24 0.00 0.00 39.78 41.42 2djm n ASN 46 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 2djm s TRP 47 N -3.28 2.92 -1.31 1.20 0.51 -1.26 -4.75 118.94 112.96 2djm s TRP 47 Ca 0.00 0.93 -0.17 0.00 -2.12 0.00 0.00 56.10 54.75 2djm s TRP 47 Cb 0.00 -3.58 0.02 0.00 -0.81 0.00 0.00 33.47 29.10 2djm s TRP 47 CO 0.00 -2.08 2.00 -1.71 -0.51 0.00 0.00 176.95 174.66 2djm n ASN 48 N 5.51 4.04 -3.16 2.95 5.15 -1.26 -4.45 115.26 124.04 2djm n ASN 48 Ca 0.13 -2.84 -0.19 0.00 -0.60 0.00 0.00 54.58 51.07 2djm n ASN 48 Cb 0.45 -1.64 -0.01 0.00 -0.53 0.00 0.00 39.78 38.05 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 7.67 -3.23 -4.71 1.20 5.15 -1.26 -4.90 115.26 115.19 2djm n ASN 49 Ca 0.50 -0.22 -0.30 0.00 -0.60 0.00 0.00 54.58 53.96 2djm n ASN 49 Cb 0.42 -2.72 -0.09 0.00 -0.53 0.00 0.00 39.78 36.87 2djm n ASN 49 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2djm s ASN 50 N -2.53 4.07 -0.41 1.20 2.47 -1.26 -5.11 114.94 113.37 2djm s ASN 50 Ca 0.30 -1.48 0.05 0.00 0.42 0.00 0.00 52.86 52.15 2djm s ASN 50 Cb -0.16 0.08 0.19 0.00 -1.45 0.00 0.00 41.25 39.91 2djm s ASN 50 CO 0.37 -0.68 0.42 0.61 -3.72 0.00 0.00 177.10 174.10 2djm n GLY 51 N -1.17 2.07 3.55 1.21 0.00 -1.26 -4.90 105.19 104.70 2djm n GLY 51 Ca -0.12 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 2djm n GLY 51 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2djm s ASN 52 N -0.23 6.31 -0.03 1.61 0.01 -1.26 -4.98 114.94 116.36 2djm s ASN 52 Ca 0.33 -0.93 0.01 0.00 -0.71 0.00 0.00 52.86 51.56 2djm s ASN 52 Cb 0.07 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 39.14 2djm s ASN 52 CO -0.17 -1.69 -0.02 -0.51 -1.51 0.00 0.00 177.10 173.20 2djm s ILE 53 N 5.43 4.05 -0.06 0.60 -1.16 -1.25 -2.70 121.20 126.11 2djm s ILE 53 Ca 0.41 -0.51 -0.01 0.00 -0.51 0.00 0.00 60.65 60.03 2djm s ILE 53 Cb -0.04 -2.75 0.03 0.00 0.61 0.00 0.00 42.46 40.31 2djm s ILE 53 CO 0.03 0.48 -0.00 -0.51 -2.81 0.00 0.00 174.94 172.12 2djm s ILE 54 N -0.98 0.34 0.17 2.00 2.07 -0.39 -4.94 121.20 119.46 2djm s ILE 54 Ca 0.16 0.10 -0.30 0.00 -1.41 0.00 0.00 60.65 59.21 2djm s ILE 54 Cb -0.11 -0.47 -0.08 0.00 0.13 0.00 0.00 42.46 41.93 2djm s ILE 54 CO 0.06 0.23 1.18 0.00 -1.91 0.00 0.00 174.94 174.50 2djm s ALA 55 N 1.70 3.42 0.49 1.50 0.00 -1.26 -0.87 121.76 126.75 2djm s ALA 55 Ca 0.01 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 2djm s ALA 55 Cb -0.13 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2djm s ALA 55 CO -0.04 -0.35 0.74 0.00 0.00 0.00 0.00 175.76 176.12 2djm s ALA 56 N 0.06 3.64 -0.01 0.00 0.00 0.78 -4.91 121.76 121.33 2djm s ALA 56 Ca 0.53 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.56 2djm s ALA 56 Cb -0.31 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 2djm s ALA 56 CO 0.35 -0.51 -0.15 0.45 0.00 0.00 0.00 175.76 175.90 2djm s SER 57 N -4.25 1.78 0.42 0.00 0.15 -1.08 -4.52 113.70 106.20 2djm s SER 57 Ca 0.50 -0.28 -0.24 0.00 0.70 0.00 0.00 55.95 56.64 2djm s SER 57 Cb -0.10 -0.20 -0.08 0.00 -1.71 0.00 0.00 66.02 63.93 2djm s SER 57 CO 0.40 0.18 1.13 0.72 1.20 0.00 0.00 173.24 176.88 2djm s PHE 58 N -0.37 3.04 -0.17 3.44 -0.12 -1.26 0.29 117.98 122.84 2djm s PHE 58 Ca 0.06 1.57 -0.03 0.00 -0.05 0.00 0.00 56.93 58.48 2djm s PHE 58 Cb -0.06 -3.31 -0.09 0.00 -0.63 0.00 0.00 43.02 38.92 2djm s PHE 58 CO -0.01 -1.21 -0.18 0.45 -0.05 0.00 0.00 175.22 174.23 2djm n SER 59 N -0.20 2.09 0.00 1.98 2.88 0.22 -4.73 113.62 115.85 2djm n SER 59 Ca 0.06 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2djm n SER 59 Cb 0.48 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 2djm n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djm n GLY 60 N 2.38 0.85 3.77 0.46 0.00 -0.92 -5.02 105.19 106.71 2djm n GLY 60 Ca -0.31 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.00 4.39 -0.57 1.61 0.02 -1.26 -0.95 135.00 136.24 2djm s PRO 61 Ca 0.00 2.00 -0.28 0.00 0.02 0.00 0.00 61.00 62.74 2djm s PRO 61 Cb 0.00 -3.03 0.02 0.00 0.02 0.00 0.00 34.50 31.52 2djm s PRO 61 CO 0.00 -0.08 1.27 0.42 -0.33 0.00 0.00 177.00 178.28 2djm s ILE 62 N -1.20 3.94 -0.11 2.83 1.01 -0.44 -4.86 121.20 122.37 2djm s ILE 62 Ca 0.49 0.84 -0.29 0.00 0.00 0.00 0.00 60.65 61.69 2djm s ILE 62 Cb -0.35 -4.62 -0.05 0.00 0.01 0.00 0.00 42.46 37.44 2djm s ILE 62 CO 0.46 -1.27 1.77 -0.44 0.00 0.00 0.00 174.94 175.46 2djm s SER 63 N 3.43 6.39 0.00 3.58 0.01 -1.26 -2.13 113.70 123.71 2djm s SER 63 Ca 0.46 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.79 2djm s SER 63 Cb -0.09 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2djm s SER 63 CO 0.26 -1.19 0.00 0.61 0.41 0.00 0.00 173.24 173.33 2djm n GLY 64 N 4.58 1.77 3.39 3.44 0.00 -1.26 -5.10 105.19 112.01 2djm n GLY 64 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.87 -0.06 -1.32 1.61 0.01 -0.91 -5.06 113.70 106.11 2djm s SER 65 Ca 0.00 -0.73 -0.06 0.00 1.31 0.00 0.00 55.95 56.47 2djm s SER 65 Cb 0.00 0.48 0.13 0.00 0.21 0.00 0.00 66.02 66.83 2djm s SER 65 CO 0.00 -0.94 2.29 -3.20 0.41 0.00 0.00 173.24 171.81 2djm n ASN 66 N -0.25 7.48 -4.23 2.44 2.85 -1.26 -4.54 115.26 117.75 2djm n ASN 66 Ca -0.09 -3.12 -0.13 0.00 -0.11 0.00 0.00 54.58 51.13 2djm n ASN 66 Cb 0.63 -1.39 -0.10 0.00 1.24 0.00 0.00 39.78 40.16 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 -0.78 1.24 0.41 1.20 1.51 -1.26 -4.40 117.35 115.26 2djm s TYR 67 Ca 0.51 -1.31 0.05 0.00 -1.01 0.00 0.00 57.07 55.31 2djm s TYR 67 Cb 0.17 -0.64 -0.06 0.00 -0.11 0.00 0.00 41.96 41.31 2djm s TYR 67 CO -0.07 -0.55 0.02 -2.00 -1.11 0.00 0.00 175.55 171.84 2djm s GLU 68 N -4.12 1.93 -0.04 -0.62 2.12 0.68 -1.32 118.70 117.34 2djm s GLU 68 Ca 0.37 -2.12 -0.02 0.00 0.36 0.00 0.00 54.97 53.57 2djm s GLU 68 Cb 0.07 -1.42 0.03 0.00 0.26 0.00 0.00 34.13 33.07 2djm s GLU 68 CO 0.12 -0.14 0.06 -0.47 -0.54 0.00 0.00 175.26 174.28 2djm s TYR 69 N -2.88 0.03 0.05 5.30 5.04 -0.12 -2.62 117.35 122.15 2djm s TYR 69 Ca 0.30 0.26 0.09 0.00 -2.44 0.00 0.00 57.07 55.28 2djm s TYR 69 Cb 0.08 -0.41 -0.03 0.00 0.35 0.00 0.00 41.96 41.95 2djm s TYR 69 CO 0.15 -0.18 -0.25 -1.58 -1.34 0.00 0.00 175.55 172.36 2djm s TRP 70 N 1.95 2.18 0.03 4.97 0.52 -0.40 0.69 118.94 128.88 2djm s TRP 70 Ca 0.02 -0.40 -0.08 0.00 0.02 0.00 0.00 56.10 55.65 2djm s TRP 70 Cb -0.12 -1.30 0.00 0.00 -1.15 0.00 0.00 33.47 30.90 2djm s TRP 70 CO -0.03 0.12 0.17 0.95 0.02 0.00 0.00 176.95 178.17 2djm s THR 71 N -0.81 0.10 -0.17 2.01 -4.23 0.14 0.28 115.64 112.97 2djm s THR 71 Ca 0.11 -0.87 -0.32 0.00 -1.18 0.00 0.00 61.69 59.43 2djm s THR 71 Cb -0.10 -0.78 0.14 0.00 1.34 0.00 0.00 72.50 73.10 2djm s THR 71 CO 0.02 -0.48 1.13 0.72 -0.54 0.00 0.00 174.62 175.48 2djm s PHE 72 N -2.24 -0.21 0.03 3.99 -0.71 0.77 -2.64 117.98 116.96 2djm s PHE 72 Ca -0.08 0.24 0.04 0.00 -1.04 0.00 0.00 56.93 56.09 2djm s PHE 72 Cb -0.03 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.25 2djm s PHE 72 CO -0.02 -0.26 -0.09 -1.12 -1.34 0.00 0.00 175.22 172.38 2djm s SER 73 N -1.75 4.44 0.02 1.98 0.01 -1.26 -0.39 113.70 116.74 2djm s SER 73 Ca 0.06 -0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.10 2djm s SER 73 Cb -0.01 -0.96 -0.01 0.00 0.21 0.00 0.00 66.02 65.25 2djm s SER 73 CO -0.04 0.26 -0.05 0.00 0.41 0.00 0.00 173.24 173.82 2djm s ALA 74 N -1.02 0.33 -0.57 1.44 0.00 0.21 -4.96 121.76 117.21 2djm s ALA 74 Ca 0.17 -0.41 -0.16 0.00 0.00 0.00 0.00 51.96 51.56 2djm s ALA 74 Cb -0.11 0.01 0.14 0.00 0.00 0.00 0.00 23.12 23.15 2djm s ALA 74 CO 0.08 -0.00 0.52 0.45 0.00 0.00 0.00 175.76 176.81 2djm s SER 75 N -0.79 6.24 -0.12 0.00 0.15 -1.26 -0.03 113.70 117.89 2djm s SER 75 Ca -0.05 -1.86 -0.05 0.00 0.70 0.00 0.00 55.95 54.68 2djm s SER 75 Cb -0.06 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 2djm s SER 75 CO -0.00 -0.84 0.07 0.68 1.20 0.00 0.00 173.24 174.35 2djm s VAL 76 N 1.49 4.89 -0.78 4.45 -7.23 -1.26 -4.95 120.40 117.02 2djm s VAL 76 Ca 0.04 -0.02 0.19 0.00 -1.81 0.00 0.00 61.98 60.38 2djm s VAL 76 Cb -0.28 -3.12 -0.22 0.00 0.56 0.00 0.00 36.38 33.32 2djm s VAL 76 CO 0.02 0.59 0.76 0.29 -0.31 0.00 0.00 175.10 176.45 2djm n LYS 77 N 2.30 0.67 -3.15 4.82 4.01 -1.26 -4.00 118.16 121.55 2djm n LYS 77 Ca -0.19 -0.03 0.06 0.00 -0.51 0.00 0.00 58.31 57.65 2djm n LYS 77 Cb 0.54 -1.41 -0.01 0.00 -0.51 0.00 0.00 35.03 33.64 2djm n LYS 77 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2djm s GLY 78 N -3.01 -0.35 0.16 0.72 0.00 -1.26 -4.97 107.32 98.60 2djm s GLY 78 Ca 0.05 2.90 0.06 0.00 0.00 0.00 0.00 44.72 47.73 2djm s GLY 78 CO 0.79 4.10 -0.13 -1.50 0.00 0.00 0.00 173.10 176.36 2djm s ILE 79 N 3.00 1.44 0.00 0.90 2.07 -1.26 -0.99 121.20 126.36 2djm s ILE 79 Ca 0.07 -2.02 0.00 0.00 -1.41 0.00 0.00 60.65 57.29 2djm s ILE 79 Cb -0.05 -1.83 0.00 0.00 0.13 0.00 0.00 42.46 40.71 2djm s ILE 79 CO -0.13 -0.59 0.00 1.17 -1.91 0.00 0.00 174.94 173.49 2djm n LYS 80 N -0.05 0.00 -4.24 3.50 3.00 0.52 -4.36 118.16 116.54 2djm n LYS 80 Ca -0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.07 2djm n LYS 80 Cb 0.59 -0.25 -0.10 0.00 0.00 0.00 0.00 35.03 35.28 2djm n LYS 80 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2djm s GLU 81 N -1.21 1.10 0.06 1.64 0.41 -1.16 -0.37 118.70 119.18 2djm s GLU 81 Ca 0.00 -1.53 -0.26 0.00 -0.41 0.00 0.00 54.97 52.77 2djm s GLU 81 Cb 0.00 -0.22 0.09 0.00 -1.78 0.00 0.00 34.13 32.22 2djm s GLU 81 CO 0.00 -0.15 1.19 -0.59 -0.49 0.00 0.00 175.26 175.22 2djm s PHE 82 N -3.70 0.04 -0.19 1.61 -0.71 -0.42 0.16 117.98 114.77 2djm s PHE 82 Ca 0.24 -0.27 -0.28 0.00 -1.04 0.00 0.00 56.93 55.59 2djm s PHE 82 Cb 0.06 0.61 0.10 0.00 -1.21 0.00 0.00 43.02 42.58 2djm s PHE 82 CO 0.04 -0.52 0.86 1.52 -1.34 0.00 0.00 175.22 175.78 2djm s TYR 83 N -2.10 -0.57 -0.13 3.49 -0.85 -0.62 0.45 117.35 117.02 2djm s TYR 83 Ca 0.26 1.20 -0.06 0.00 -0.52 0.00 0.00 57.07 57.96 2djm s TYR 83 Cb -0.01 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.66 2djm s TYR 83 CO 0.01 -0.39 0.07 0.42 -1.52 0.00 0.00 175.55 174.15 2djm s ILE 84 N -0.42 4.93 0.01 -3.49 -1.09 -0.96 -2.58 121.20 117.59 2djm s ILE 84 Ca -0.02 -0.00 -0.00 0.00 -2.23 0.00 0.00 60.65 58.39 2djm s ILE 84 Cb -0.03 -3.15 -0.04 0.00 -1.58 0.00 0.00 42.46 37.67 2djm s ILE 84 CO 0.02 0.57 0.09 -0.54 -1.23 0.00 0.00 174.94 173.84 2djm s LYS 85 N -0.57 3.08 -0.45 2.79 1.02 -0.33 -0.88 119.74 124.40 2djm s LYS 85 Ca 0.11 -0.50 -0.07 0.00 0.02 0.00 0.00 55.97 55.53 2djm s LYS 85 Cb -0.12 -2.86 0.12 0.00 -0.52 0.00 0.00 37.83 34.45 2djm s LYS 85 CO 0.02 0.64 0.30 -0.47 -0.92 0.00 0.00 175.35 174.92 2djm s TYR 86 N -1.23 3.48 -0.22 3.18 5.04 -0.79 -2.64 117.35 124.16 2djm s TYR 86 Ca 0.24 -2.04 -0.05 0.00 -2.44 0.00 0.00 57.07 52.78 2djm s TYR 86 Cb -0.12 -3.39 -0.01 0.00 0.35 0.00 0.00 41.96 38.78 2djm s TYR 86 CO 0.16 -0.98 -0.02 -2.00 -1.34 0.00 0.00 175.55 171.36 2djm s GLU 87 N 1.29 3.46 0.20 4.97 2.12 -1.04 -0.65 118.70 129.06 2djm s GLU 87 Ca 0.06 -0.58 0.11 0.00 0.36 0.00 0.00 54.97 54.92 2djm s GLU 87 Cb -0.25 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 2djm s GLU 87 CO -0.02 -0.16 -0.21 0.08 -0.54 0.00 0.00 175.26 174.41 2djm s VAL 88 N 1.42 2.20 0.00 3.70 1.01 0.13 0.03 120.40 128.89 2djm s VAL 88 Ca 0.05 -2.08 0.00 0.00 0.00 0.00 0.00 61.98 59.95 2djm s VAL 88 Cb -0.14 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.16 2djm s VAL 88 CO -0.01 -0.25 1.02 -0.24 0.00 0.00 0.00 175.10 175.61 2djm n SER 89 N 0.07 2.94 0.00 3.32 2.88 -0.81 -2.92 113.62 119.10 2djm n SER 89 Ca -0.11 -1.80 0.00 0.00 -1.33 0.00 0.00 58.87 55.63 2djm n SER 89 Cb 0.57 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 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 0.77 0.10 3.43 0.46 0.00 -1.26 -5.07 105.19 103.61 2djm n GLY 90 Ca 0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.00 1.87 -0.08 1.61 -0.14 -1.15 -5.17 119.74 115.68 2djm s LYS 91 Ca 0.00 -1.84 -0.13 0.00 -1.36 0.00 0.00 55.97 52.64 2djm s LYS 91 Cb 0.00 0.41 0.03 0.00 -1.68 0.00 0.00 37.83 36.59 2djm s LYS 91 CO 0.00 -0.75 0.32 0.99 -0.76 0.00 0.00 175.35 175.15 2djm s THR 92 N -3.15 0.02 0.08 2.17 2.01 -1.26 0.19 115.64 115.70 2djm s THR 92 Ca 0.34 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.17 2djm s THR 92 Cb 0.00 -0.52 -0.00 0.00 0.01 0.00 0.00 72.50 71.99 2djm s THR 92 CO 0.23 -0.10 0.08 -1.22 -0.69 0.00 0.00 174.62 172.92 2djm n TYR 93 N 2.31 -0.38 -3.80 4.92 4.02 0.18 -5.00 117.16 119.43 2djm n TYR 93 Ca -0.16 -0.61 -0.13 0.00 -0.01 0.00 0.00 57.90 56.99 2djm n TYR 93 Cb 0.57 0.09 -0.12 0.00 -0.02 0.00 0.00 39.34 39.86 2djm n TYR 93 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2djm s TYR 94 N -3.18 -0.21 -0.38 -0.72 2.02 -1.26 -1.88 117.35 111.73 2djm s TYR 94 Ca 0.08 0.53 -0.05 0.00 -0.37 0.00 0.00 57.07 57.26 2djm s TYR 94 Cb 0.00 0.06 0.08 0.00 -0.40 0.00 0.00 41.96 41.70 2djm s TYR 94 CO 0.06 -0.12 0.17 0.34 -1.57 0.00 0.00 175.55 174.43 2djm s ASP 95 N 0.28 5.30 -0.41 2.29 2.15 -0.06 -4.69 116.67 121.52 2djm s ASP 95 Ca -0.01 -1.65 0.05 0.00 0.43 0.00 0.00 52.55 51.36 2djm s ASP 95 Cb -0.03 -1.86 0.17 0.00 -0.30 0.00 0.00 42.92 40.91 2djm s ASP 95 CO -0.01 -0.47 0.49 0.21 -0.17 0.00 0.00 175.17 175.22 2djm s ASN 96 N 1.77 0.13 0.00 -0.34 2.47 -1.26 -2.26 114.94 115.45 2djm s ASN 96 Ca 0.03 -1.58 0.00 0.00 0.42 0.00 0.00 52.86 51.73 2djm s ASN 96 Cb -0.22 1.00 0.00 0.00 -1.45 0.00 0.00 41.25 40.58 2djm s ASN 96 CO -0.01 -0.19 0.00 -0.46 -3.72 0.00 0.00 177.10 172.71 2djm n ASN 97 N 3.92 0.00 0.00 -4.21 6.94 -1.26 -3.00 115.26 117.65 2djm n ASN 97 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.70 2djm n ASN 97 Cb 0.50 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 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 -0.15 0.53 5.15 -1.26 -5.00 115.26 114.53 2djm n ASN 98 Ca 0.00 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2djm n ASN 98 Cb 0.00 0.48 -0.00 0.00 -0.53 0.00 0.00 39.78 39.73 2djm n ASN 98 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2djm n SER 99 N -2.46 -0.01 0.00 1.20 3.41 -1.16 -5.10 113.62 109.50 2djm n SER 99 Ca 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 2djm n SER 99 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 1.27 -3.59 7.33 0.00 -1.26 -5.16 120.51 119.10 2djm n ALA 100 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2djm n ALA 100 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 2djm n ALA 100 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2djm s ASN 101 N 1.00 -0.37 -0.19 0.00 -0.87 -1.26 -4.94 114.94 108.31 2djm s ASN 101 Ca 0.00 0.48 -0.24 0.00 -1.57 0.00 0.00 52.86 51.53 2djm s ASN 101 Cb 0.00 0.40 -0.02 0.00 -0.02 0.00 0.00 41.25 41.62 2djm s ASN 101 CO 0.00 -0.29 0.77 -0.31 -2.57 0.00 0.00 177.10 174.70 2djm s TYR 102 N -0.82 3.39 -0.14 2.20 2.02 0.17 -4.81 117.35 119.36 2djm s TYR 102 Ca -0.00 1.14 -0.29 0.00 -0.37 0.00 0.00 57.07 57.54 2djm s TYR 102 Cb -0.01 -2.96 -0.01 0.00 -0.40 0.00 0.00 41.96 38.57 2djm s TYR 102 CO -0.01 -0.25 1.15 -0.65 -1.57 0.00 0.00 175.55 174.22 2djm s GLN 103 N 2.20 4.31 0.07 -0.62 1.11 -1.26 -1.31 119.66 124.16 2djm s GLN 103 Ca 0.35 1.55 -0.30 0.00 0.01 0.00 0.00 55.36 56.96 2djm s GLN 103 Cb -0.16 -3.64 -0.05 0.00 -1.01 0.00 0.00 33.01 28.15 2djm s GLN 103 CO 0.11 -0.54 1.04 0.08 0.01 0.00 0.00 175.29 175.98 2djm s VAL 104 N 2.79 4.45 -1.16 1.09 1.01 0.50 -4.93 120.40 124.16 2djm s VAL 104 Ca 0.51 1.88 -0.21 0.00 0.00 0.00 0.00 61.98 64.17 2djm s VAL 104 Cb -0.20 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 2djm s VAL 104 CO 0.15 0.21 1.91 -1.20 0.00 0.00 0.00 175.10 176.18 2djm n SER 105 N 3.35 3.52 -0.34 3.32 7.64 -1.26 -4.92 113.62 124.93 2djm n SER 105 Ca 0.05 -2.76 0.04 0.00 1.01 0.00 0.00 58.87 57.21 2djm n SER 105 Cb 0.49 -1.61 0.03 0.00 -1.01 0.00 0.00 64.21 62.11 2djm n SER 105 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44