#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 6.91 -0.03 0.00 1.04 -1.26 -4.97 113.70 115.39 2djm s SER 2 Ca 0.00 2.38 -0.22 0.00 0.48 0.00 0.00 55.95 58.59 2djm s SER 2 Cb 0.00 -2.61 -0.15 0.00 0.10 0.00 0.00 66.02 63.36 2djm s SER 2 CO 0.00 -0.52 0.95 0.40 0.98 0.00 0.00 173.24 175.05 2djm h ILE 3 N 3.78 0.63 -3.51 -1.02 1.08 -2.04 -3.44 117.51 112.99 2djm h ILE 3 Ca -0.45 -0.85 -0.52 0.00 -0.39 0.00 0.00 64.86 62.66 2djm h ILE 3 Cb 1.21 1.00 0.01 0.00 -3.07 0.00 0.00 36.82 35.98 2djm h ILE 3 CO 0.77 0.14 0.53 -2.16 -0.69 0.00 0.00 178.15 176.75 2djm s PRO 4 N -3.84 4.52 0.00 2.37 0.04 -1.26 -4.98 135.00 131.85 2djm s PRO 4 Ca -0.12 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2djm s PRO 4 Cb 0.01 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2djm s PRO 4 CO 0.46 -0.04 0.00 0.45 0.04 0.00 0.00 177.00 177.90 2djm n SER 5 N 2.48 0.00 -0.05 6.66 2.88 -1.26 -5.02 113.62 119.31 2djm n SER 5 Ca 0.04 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.54 2djm n SER 5 Cb 0.45 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.50 1.09 -3.17 -3.46 7.64 -1.26 -5.04 113.62 108.91 2djm n SER 6 Ca 0.00 0.29 -0.09 0.00 1.01 0.00 0.00 58.87 60.08 2djm n SER 6 Cb 0.00 -0.66 0.04 0.00 -1.01 0.00 0.00 64.21 62.57 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 -3.42 0.32 0.09 -0.43 0.00 -1.26 -5.01 120.51 110.79 2djm n ALA 7 Ca -0.07 -0.87 -0.08 0.00 0.00 0.00 0.00 53.44 52.43 2djm n ALA 7 Cb 0.25 0.19 -0.01 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.10 0.18 -3.55 0.00 0.02 -1.93 -3.46 113.55 104.71 2djm h SER 8 Ca -0.13 -0.15 -0.66 0.00 -0.84 0.00 0.00 61.79 60.01 2djm h SER 8 Cb 0.53 -0.06 -0.17 0.00 0.14 0.00 0.00 62.40 62.84 2djm h SER 8 CO 0.16 0.97 -0.77 0.54 -1.14 0.00 0.00 176.83 176.59 2djm s VAL 9 N -3.14 3.10 -0.03 2.27 0.11 -1.26 -0.89 120.40 120.56 2djm s VAL 9 Ca -0.02 -1.44 -0.04 0.00 -2.93 0.00 0.00 61.98 57.55 2djm s VAL 9 Cb 0.10 -2.45 0.01 0.00 -1.53 0.00 0.00 36.38 32.51 2djm s VAL 9 CO 0.82 0.07 0.11 -1.58 -3.33 0.00 0.00 175.10 171.19 2djm s GLN 10 N -2.27 0.17 0.32 1.54 0.74 0.77 -4.67 119.66 116.25 2djm s GLN 10 Ca 0.20 0.07 -0.29 0.00 0.05 0.00 0.00 55.36 55.40 2djm s GLN 10 Cb -0.10 0.08 -0.10 0.00 1.10 0.00 0.00 33.01 33.98 2djm s GLN 10 CO 0.12 -0.02 1.23 -1.17 -0.55 0.00 0.00 175.29 174.90 2djm s LEU 11 N -0.13 4.44 -0.03 3.68 2.96 -1.26 -1.23 118.68 127.11 2djm s LEU 11 Ca -0.02 2.53 -0.02 0.00 -0.22 0.00 0.00 54.13 56.40 2djm s LEU 11 Cb -0.02 -3.68 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 2djm s LEU 11 CO 0.00 -0.43 -0.04 -0.67 -1.32 0.00 0.00 176.35 173.89 2djm n ASP 12 N 0.84 0.39 -3.52 3.68 2.03 -1.18 -4.78 116.55 114.02 2djm n ASP 12 Ca 0.00 0.31 -0.09 0.00 0.52 0.00 0.00 54.79 55.53 2djm n ASP 12 Cb 0.43 -0.58 -0.03 0.00 -0.72 0.00 0.00 41.12 40.23 2djm n ASP 12 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2djm s SER 13 N -4.02 -0.38 0.07 1.67 0.01 -1.09 -5.04 113.70 104.93 2djm s SER 13 Ca -0.03 0.10 -0.22 0.00 1.31 0.00 0.00 55.95 57.10 2djm s SER 13 Cb 0.00 0.38 0.05 0.00 0.21 0.00 0.00 66.02 66.66 2djm s SER 13 CO 0.05 -0.57 0.53 -0.72 0.41 0.00 0.00 173.24 172.94 2djm s TYR 14 N -2.68 -0.43 0.21 2.43 -0.85 -1.26 -0.55 117.35 114.21 2djm s TYR 14 Ca 0.03 0.43 0.05 0.00 -0.52 0.00 0.00 57.07 57.06 2djm s TYR 14 Cb -0.01 0.37 -0.05 0.00 0.38 0.00 0.00 41.96 42.65 2djm s TYR 14 CO -0.06 -0.68 -0.05 -0.80 -1.52 0.00 0.00 175.55 172.43 2djm s ASN 15 N -2.13 1.99 0.05 -0.18 0.01 0.20 -4.94 114.94 109.95 2djm s ASN 15 Ca -0.04 -1.13 0.06 0.00 -0.71 0.00 0.00 52.86 51.04 2djm s ASN 15 Cb -0.00 -0.03 -0.03 0.00 0.41 0.00 0.00 41.25 41.60 2djm s ASN 15 CO -0.04 -0.40 -0.16 -0.47 -1.51 0.00 0.00 177.10 174.52 2djm s TYR 16 N -3.30 1.38 -0.29 2.20 5.04 -1.26 -2.66 117.35 118.47 2djm s TYR 16 Ca 0.24 -0.39 0.03 0.00 -2.44 0.00 0.00 57.07 54.51 2djm s TYR 16 Cb 0.04 -0.80 0.17 0.00 0.35 0.00 0.00 41.96 41.72 2djm s TYR 16 CO 0.06 0.07 0.47 0.34 -1.34 0.00 0.00 175.55 175.15 2djm s ASP 17 N -1.37 -0.34 0.59 4.32 -1.08 -1.17 -4.91 116.67 112.72 2djm s ASP 17 Ca 0.02 -0.08 0.00 0.00 -0.52 0.00 0.00 52.55 51.97 2djm s ASP 17 Cb -0.09 1.45 0.00 0.00 -1.46 0.00 0.00 42.92 42.82 2djm s ASP 17 CO 0.02 -0.33 0.00 0.61 0.52 0.00 0.00 175.17 175.99 2djm n GLY 18 N 5.38 0.46 2.55 2.66 0.00 -1.26 -2.03 105.19 112.95 2djm n GLY 18 Ca 0.01 0.59 -0.29 0.00 0.00 0.00 0.00 46.02 46.33 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 3.16 -0.06 1.61 0.15 -1.26 -4.93 113.70 108.37 2djm s SER 19 Ca 0.00 -2.38 -0.05 0.00 0.70 0.00 0.00 55.95 54.21 2djm s SER 19 Cb 0.00 -0.63 0.02 0.00 -1.71 0.00 0.00 66.02 63.70 2djm s SER 19 CO 0.00 -0.29 0.16 -0.89 1.20 0.00 0.00 173.24 173.42 2djm s THR 20 N 0.77 -0.00 -0.16 6.45 2.01 -0.86 -3.84 115.64 120.00 2djm s THR 20 Ca 0.18 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.15 2djm s THR 20 Cb -0.22 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.03 2djm s THR 20 CO -0.00 0.00 -0.02 0.12 -0.69 0.00 0.00 174.62 174.03 2djm s PHE 21 N 0.12 3.04 -0.18 4.92 2.19 0.11 -3.06 117.98 125.13 2djm s PHE 21 Ca -0.00 -0.29 -0.08 0.00 0.33 0.00 0.00 56.93 56.89 2djm s PHE 21 Cb -0.01 -1.98 0.08 0.00 -1.31 0.00 0.00 43.02 39.79 2djm s PHE 21 CO -0.00 -0.05 0.40 -1.54 1.83 0.00 0.00 175.22 175.86 2djm s SER 22 N 0.44 -0.29 0.00 6.13 1.04 -1.09 0.73 113.70 120.65 2djm s SER 22 Ca -0.03 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.32 2djm s SER 22 Cb -0.14 1.07 0.00 0.00 0.10 0.00 0.00 66.02 67.05 2djm s SER 22 CO 0.03 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2djm n GLY 23 N 4.97 1.00 3.52 7.32 0.00 -0.97 0.61 105.19 121.64 2djm n GLY 23 Ca -0.14 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 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 1.21 1.39 0.22 1.61 -2.85 0.29 -2.06 119.74 119.55 2djm s LYS 24 Ca 0.00 -0.60 0.09 0.00 -1.00 0.00 0.00 55.97 54.46 2djm s LYS 24 Cb 0.00 0.59 -0.05 0.00 -2.06 0.00 0.00 37.83 36.31 2djm s LYS 24 CO 0.00 -0.62 -0.16 0.42 0.10 0.00 0.00 175.35 175.09 2djm s ILE 25 N -3.79 1.94 -0.31 3.79 1.01 0.25 -2.66 121.20 121.44 2djm s ILE 25 Ca 0.03 -2.23 -0.01 0.00 0.00 0.00 0.00 60.65 58.44 2djm s ILE 25 Cb -0.02 -2.09 0.10 0.00 0.01 0.00 0.00 42.46 40.46 2djm s ILE 25 CO -0.08 -0.52 0.09 -0.47 0.00 0.00 0.00 174.94 173.97 2djm s TYR 26 N -2.75 1.79 0.03 3.97 6.14 -0.37 -1.50 117.35 124.66 2djm s TYR 26 Ca 0.24 -1.78 0.02 0.00 0.64 0.00 0.00 57.07 56.19 2djm s TYR 26 Cb -0.02 -1.76 -0.02 0.00 0.42 0.00 0.00 41.96 40.58 2djm s TYR 26 CO 0.09 -0.88 -0.08 0.14 0.64 0.00 0.00 175.55 175.47 2djm s VAL 27 N 1.59 0.54 0.04 3.14 -7.23 -1.07 -0.17 120.40 117.23 2djm s VAL 27 Ca 0.10 -0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 59.05 2djm s VAL 27 Cb -0.17 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.15 2djm s VAL 27 CO -0.24 -0.27 0.99 -0.75 -0.31 0.00 0.00 175.10 174.52 2djm s LYS 28 N -1.29 4.59 -0.22 4.82 2.20 -0.07 0.33 119.74 130.11 2djm s LYS 28 Ca -0.07 1.46 -0.19 0.00 -0.36 0.00 0.00 55.97 56.80 2djm s LYS 28 Cb -0.08 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 2djm s LYS 28 CO 0.00 0.01 0.55 0.54 -0.36 0.00 0.00 175.35 176.09 2djm s ASN 29 N 0.73 6.56 -0.08 1.43 2.20 -0.61 -4.83 114.94 120.33 2djm s ASN 29 Ca 0.51 0.67 -0.13 0.00 -0.94 0.00 0.00 52.86 52.97 2djm s ASN 29 Cb -0.22 -2.30 -0.10 0.00 -2.00 0.00 0.00 41.25 36.62 2djm s ASN 29 CO 0.29 -0.24 0.47 0.40 -2.94 0.00 0.00 177.10 175.07 2djm h ILE 30 N 5.23 0.53 0.00 0.54 1.08 -1.96 -3.46 117.51 119.47 2djm h ILE 30 Ca -0.31 -1.20 0.00 0.00 -0.39 0.00 0.00 64.86 62.96 2djm h ILE 30 Cb 1.15 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 2djm h ILE 30 CO 0.74 0.16 0.00 0.00 -0.69 0.00 0.00 178.15 178.37 2djm n ALA 31 N -2.69 0.70 -0.33 1.87 0.00 -1.26 -5.12 120.51 113.69 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 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.19 -1.14 -1.91 0.00 9.36 -1.26 -5.01 117.16 116.01 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 0.23 -0.00 0.00 -0.63 0.00 0.00 39.34 38.94 2djm n TYR 32 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2djm n SER 33 N -1.74 4.87 -4.93 2.98 7.64 -1.26 -4.92 113.62 116.26 2djm n SER 33 Ca 0.00 -2.92 -0.21 0.00 1.01 0.00 0.00 58.87 56.75 2djm n SER 33 Cb 0.00 -1.58 0.05 0.00 -1.01 0.00 0.00 64.21 61.67 2djm n SER 33 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2djm s LYS 34 N 1.98 2.39 -0.20 1.43 -0.14 -1.26 -4.99 119.74 118.95 2djm s LYS 34 Ca 0.47 -1.03 -0.09 0.00 -1.36 0.00 0.00 55.97 53.95 2djm s LYS 34 Cb 0.13 -2.52 -0.05 0.00 -1.68 0.00 0.00 37.83 33.71 2djm s LYS 34 CO -0.06 -0.80 0.11 0.15 -0.76 0.00 0.00 175.35 174.00 2djm s LYS 35 N -4.75 4.11 -0.27 1.68 1.02 0.67 -5.00 119.74 117.19 2djm s LYS 35 Ca 0.59 -0.27 0.03 0.00 0.02 0.00 0.00 55.97 56.34 2djm s LYS 35 Cb -0.09 -3.37 0.07 0.00 -0.52 0.00 0.00 37.83 33.92 2djm s LYS 35 CO 0.39 0.26 -0.06 0.08 -0.92 0.00 0.00 175.35 175.10 2djm s VAL 36 N 0.45 2.03 -0.21 3.17 1.01 -1.26 -1.10 120.40 124.48 2djm s VAL 36 Ca 0.06 -1.68 0.02 0.00 0.00 0.00 0.00 61.98 60.38 2djm s VAL 36 Cb -0.12 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 34.06 2djm s VAL 36 CO -0.01 -0.16 -0.16 0.42 0.00 0.00 0.00 175.10 175.19 2djm s THR 37 N 1.14 2.07 0.18 3.92 -4.23 -1.10 -1.09 115.64 116.53 2djm s THR 37 Ca -0.04 -1.20 -0.30 0.00 -1.18 0.00 0.00 61.69 58.97 2djm s THR 37 Cb -0.20 -2.00 -0.08 0.00 1.34 0.00 0.00 72.50 71.57 2djm s THR 37 CO -0.06 0.31 1.05 -0.69 -0.54 0.00 0.00 174.62 174.68 2djm s VAL 38 N 1.23 3.99 -0.26 2.29 1.01 0.25 -2.52 120.40 126.39 2djm s VAL 38 Ca -0.00 1.77 0.02 0.00 0.00 0.00 0.00 61.98 63.76 2djm s VAL 38 Cb -0.16 -4.13 0.07 0.00 0.00 0.00 0.00 36.38 32.16 2djm s VAL 38 CO -0.10 0.33 -0.04 -0.69 0.00 0.00 0.00 175.10 174.60 2djm s VAL 39 N -0.43 1.70 -0.08 2.92 1.01 -0.99 0.20 120.40 124.73 2djm s VAL 39 Ca 0.47 -1.47 0.01 0.00 0.00 0.00 0.00 61.98 60.98 2djm s VAL 39 Cb -0.28 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 2djm s VAL 39 CO 0.34 -0.20 -0.09 -0.72 0.00 0.00 0.00 175.10 174.42 2djm s TYR 40 N 1.29 2.87 -0.73 5.22 -0.85 -0.60 -1.80 117.35 122.75 2djm s TYR 40 Ca -0.03 -0.16 -0.21 0.00 -0.52 0.00 0.00 57.07 56.15 2djm s TYR 40 Cb -0.19 -1.74 0.09 0.00 0.38 0.00 0.00 41.96 40.50 2djm s TYR 40 CO -0.08 0.17 0.96 0.00 -1.52 0.00 0.00 175.55 175.08 2djm s ALA 41 N -0.46 3.25 1.00 9.51 0.00 0.18 -4.31 121.76 130.92 2djm s ALA 41 Ca 0.06 -2.19 -0.19 0.00 0.00 0.00 0.00 51.96 49.65 2djm s ALA 41 Cb -0.12 -3.85 -0.09 0.00 0.00 0.00 0.00 23.12 19.05 2djm s ALA 41 CO 0.02 -2.76 -0.63 -0.40 0.00 0.00 0.00 175.76 171.99 2djm n ASP 42 N 7.10 -4.11 0.10 0.00 5.68 -1.26 0.12 116.55 124.18 2djm n ASP 42 Ca 0.03 0.14 0.06 0.00 -0.50 0.00 0.00 54.79 54.52 2djm n ASP 42 Cb 0.46 -0.82 0.34 0.00 -1.14 0.00 0.00 41.12 39.97 2djm n ASP 42 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2djm n GLY 43 N 2.91 -0.68 0.00 6.12 0.00 0.20 0.11 105.19 113.85 2djm n GLY 43 Ca 0.00 0.12 0.05 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 -1.94 2.38 0.00 1.61 2.88 -1.26 -4.55 113.62 112.73 2djm n SER 44 Ca -0.01 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2djm n SER 44 Cb 0.07 1.42 0.00 0.00 -0.75 0.00 0.00 64.21 64.95 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 -1.79 0.00 -2.81 -3.46 -0.08 0.31 -5.02 116.55 103.69 2djm n ASP 45 Ca -0.01 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.23 2djm n ASP 45 Cb 0.26 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.69 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 0.00 -3.80 -4.44 1.67 2.85 -1.17 -4.56 115.26 105.81 2djm n ASN 46 Ca 0.00 1.17 -0.60 0.00 -0.11 0.00 0.00 54.58 55.05 2djm n ASN 46 Cb 0.00 -3.81 -0.10 0.00 1.24 0.00 0.00 39.78 37.11 2djm n ASN 46 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 2djm n TRP 47 N 1.90 1.45 0.31 1.20 8.01 -1.26 -4.81 117.44 124.24 2djm n TRP 47 Ca -0.23 0.74 -0.05 0.00 -1.31 0.00 0.00 57.50 56.65 2djm n TRP 47 Cb 0.38 -2.34 0.03 0.00 -2.01 0.00 0.00 31.31 27.37 2djm n TRP 47 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 2djm n ASN 48 N 6.95 3.68 -3.52 -0.99 0.23 -1.26 -4.70 115.26 115.65 2djm n ASN 48 Ca 0.45 -2.40 -0.20 0.00 -0.53 0.00 0.00 54.58 51.90 2djm n ASN 48 Cb 0.02 -0.67 0.08 0.00 -2.08 0.00 0.00 39.78 37.13 2djm n ASN 48 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2djm n ASN 49 N 0.34 -3.49 -0.06 0.53 5.15 -1.26 -4.98 115.26 111.48 2djm n ASN 49 Ca 0.12 -0.61 -0.05 0.00 -0.60 0.00 0.00 54.58 53.44 2djm n ASN 49 Cb 0.70 -4.98 -0.03 0.00 -0.53 0.00 0.00 39.78 34.93 2djm n ASN 49 CO 0.00 0.00 0.00 -1.13 1.40 0.00 0.00 177.26 177.53 2djm h ASN 50 N -2.17 0.00 -0.92 1.20 -1.24 -1.94 -3.51 115.58 107.01 2djm h ASN 50 Ca -0.58 -0.20 0.00 0.00 0.71 0.00 0.00 56.30 56.23 2djm h ASN 50 Cb 1.35 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.40 2djm h ASN 50 CO 0.53 0.73 0.00 0.61 -1.29 0.00 0.00 177.43 178.01 2djm n GLY 51 N 1.68 -0.84 2.70 1.57 0.00 -1.26 -5.10 105.19 103.95 2djm n GLY 51 Ca -0.06 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 3.19 0.04 1.61 0.01 -1.26 -5.10 114.94 113.42 2djm s ASN 52 Ca 0.00 -1.04 0.08 0.00 -0.71 0.00 0.00 52.86 51.19 2djm s ASN 52 Cb 0.00 -0.60 -0.03 0.00 0.41 0.00 0.00 41.25 41.03 2djm s ASN 52 CO 0.00 -0.35 -0.22 -0.51 -1.51 0.00 0.00 177.10 174.51 2djm s ILE 53 N 1.85 2.49 -0.13 0.60 -1.16 -1.26 -1.56 121.20 122.04 2djm s ILE 53 Ca 0.03 -1.26 -0.01 0.00 -0.51 0.00 0.00 60.65 58.89 2djm s ILE 53 Cb -0.17 -2.01 0.04 0.00 0.61 0.00 0.00 42.46 40.93 2djm s ILE 53 CO -0.15 0.37 -0.02 -0.51 -2.81 0.00 0.00 174.94 171.82 2djm s ILE 54 N -0.86 0.71 0.24 2.00 1.10 0.13 -4.97 121.20 119.56 2djm s ILE 54 Ca 0.13 -0.31 -0.30 0.00 -0.51 0.00 0.00 60.65 59.67 2djm s ILE 54 Cb -0.10 -0.94 -0.09 0.00 0.15 0.00 0.00 42.46 41.48 2djm s ILE 54 CO 0.03 0.13 1.15 0.00 -2.11 0.00 0.00 174.94 174.15 2djm s ALA 55 N 1.81 3.42 0.68 1.50 0.00 -1.26 -0.58 121.76 127.33 2djm s ALA 55 Ca 0.02 0.94 -0.11 0.00 0.00 0.00 0.00 51.96 52.82 2djm s ALA 55 Cb -0.14 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2djm s ALA 55 CO -0.07 -0.28 1.07 0.00 0.00 0.00 0.00 175.76 176.48 2djm s ALA 56 N -0.71 2.97 0.00 0.00 0.00 -0.25 -4.88 121.76 118.89 2djm s ALA 56 Ca 0.48 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.22 2djm s ALA 56 Cb -0.33 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 2djm s ALA 56 CO 0.40 -1.01 -0.25 -1.12 0.00 0.00 0.00 175.76 173.79 2djm s SER 57 N -4.31 2.91 0.30 0.00 0.01 -0.98 -4.87 113.70 106.76 2djm s SER 57 Ca 0.57 -0.49 -0.29 0.00 1.31 0.00 0.00 55.95 57.05 2djm s SER 57 Cb -0.11 -0.30 -0.10 0.00 0.21 0.00 0.00 66.02 65.72 2djm s SER 57 CO 0.52 0.28 1.20 -0.36 0.41 0.00 0.00 173.24 175.29 2djm s PHE 58 N -0.65 3.32 -0.14 2.43 0.40 -1.26 -0.33 117.98 121.74 2djm s PHE 58 Ca 0.10 1.56 0.02 0.00 -0.60 0.00 0.00 56.93 58.01 2djm s PHE 58 Cb -0.09 -3.48 -0.10 0.00 0.51 0.00 0.00 43.02 39.86 2djm s PHE 58 CO 0.00 -1.19 -0.11 0.45 0.70 0.00 0.00 175.22 175.07 2djm n SER 59 N 1.03 2.81 0.00 1.36 2.88 0.11 -4.70 113.62 117.11 2djm n SER 59 Ca -0.00 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2djm n SER 59 Cb 0.43 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 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 2.76 3.59 3.75 0.46 0.00 -0.93 -5.00 105.19 109.82 2djm n GLY 60 Ca -0.25 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.27 4.24 -0.96 1.61 0.02 -1.26 -1.09 135.00 135.29 2djm s PRO 61 Ca 0.00 2.36 -0.23 0.00 0.02 0.00 0.00 61.00 63.14 2djm s PRO 61 Cb 0.00 -3.08 0.05 0.00 0.02 0.00 0.00 34.50 31.49 2djm s PRO 61 CO 0.00 -0.43 1.40 0.42 -0.33 0.00 0.00 177.00 178.05 2djm s ILE 62 N -0.25 3.93 0.05 2.83 1.01 0.28 -4.85 121.20 124.19 2djm s ILE 62 Ca 0.58 -0.59 -0.30 0.00 0.00 0.00 0.00 60.65 60.34 2djm s ILE 62 Cb -0.43 -5.02 -0.09 0.00 0.01 0.00 0.00 42.46 36.94 2djm s ILE 62 CO 0.47 -1.90 1.93 -0.94 0.00 0.00 0.00 174.94 174.50 2djm s SER 63 N 4.67 6.46 0.00 3.58 1.04 -1.26 -2.62 113.70 125.57 2djm s SER 63 Ca 0.43 2.67 0.00 0.00 0.48 0.00 0.00 55.95 59.53 2djm s SER 63 Cb -0.02 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2djm s SER 63 CO -0.05 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.74 2djm n GLY 64 N 4.47 2.49 3.34 7.32 0.00 -1.26 -5.10 105.19 116.44 2djm n GLY 64 Ca 0.19 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.20 1.43 -0.02 1.61 0.01 -1.08 -5.02 113.70 110.43 2djm s SER 65 Ca 0.00 -1.48 -0.00 0.00 1.31 0.00 0.00 55.95 55.78 2djm s SER 65 Cb 0.00 0.29 0.02 0.00 0.21 0.00 0.00 66.02 66.53 2djm s SER 65 CO 0.00 -0.82 1.92 0.59 0.41 0.00 0.00 173.24 175.34 2djm n ASN 66 N -0.73 5.22 -4.58 2.44 4.13 -1.26 -4.71 115.26 115.77 2djm n ASN 66 Ca 0.00 -2.42 -0.24 0.00 1.68 0.00 0.00 54.58 53.60 2djm n ASN 66 Cb 0.66 -1.07 -0.08 0.00 -1.54 0.00 0.00 39.78 37.74 2djm n ASN 66 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2djm s TYR 67 N -0.12 2.57 0.30 3.10 1.51 -1.26 -1.57 117.35 121.87 2djm s TYR 67 Ca 0.02 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 55.85 2djm s TYR 67 Cb 0.02 -1.15 -0.06 0.00 -0.11 0.00 0.00 41.96 40.66 2djm s TYR 67 CO 0.00 0.63 0.08 -2.00 -1.11 0.00 0.00 175.55 173.15 2djm s GLU 68 N -3.51 1.55 -0.09 -0.62 2.12 0.15 -0.56 118.70 117.75 2djm s GLU 68 Ca 0.30 -1.86 -0.00 0.00 0.36 0.00 0.00 54.97 53.77 2djm s GLU 68 Cb -0.06 -0.57 0.02 0.00 0.26 0.00 0.00 34.13 33.78 2djm s GLU 68 CO 0.18 -0.25 -0.06 -0.47 -0.54 0.00 0.00 175.26 174.11 2djm s TYR 69 N -3.50 1.22 -0.06 5.30 5.04 -0.25 -2.61 117.35 122.49 2djm s TYR 69 Ca 0.37 -0.53 0.05 0.00 -2.44 0.00 0.00 57.07 54.52 2djm s TYR 69 Cb 0.08 -1.05 -0.01 0.00 0.35 0.00 0.00 41.96 41.33 2djm s TYR 69 CO 0.15 -0.40 -0.22 -1.58 -1.34 0.00 0.00 175.55 172.15 2djm s TRP 70 N 1.51 2.22 0.03 4.97 0.52 -0.56 0.09 118.94 127.72 2djm s TRP 70 Ca 0.00 -0.68 0.01 0.00 0.02 0.00 0.00 56.10 55.45 2djm s TRP 70 Cb -0.13 -1.47 -0.02 0.00 -1.15 0.00 0.00 33.47 30.70 2djm s TRP 70 CO -0.05 -0.22 -0.05 0.95 0.02 0.00 0.00 176.95 177.60 2djm s THR 71 N -0.05 0.31 -0.07 2.01 -4.23 0.55 0.88 115.64 115.03 2djm s THR 71 Ca -0.05 -1.04 -0.32 0.00 -1.18 0.00 0.00 61.69 59.10 2djm s THR 71 Cb -0.13 -0.49 0.12 0.00 1.34 0.00 0.00 72.50 73.34 2djm s THR 71 CO 0.04 -0.48 1.16 0.72 -0.54 0.00 0.00 174.62 175.52 2djm s PHE 72 N -1.57 -0.13 0.04 3.99 -0.71 -0.87 -2.31 117.98 116.41 2djm s PHE 72 Ca -0.12 0.03 0.07 0.00 -1.04 0.00 0.00 56.93 55.87 2djm s PHE 72 Cb -0.09 0.54 -0.02 0.00 -1.21 0.00 0.00 43.02 42.24 2djm s PHE 72 CO -0.01 -0.34 -0.21 -1.54 -1.34 0.00 0.00 175.22 171.79 2djm s SER 73 N -2.55 2.47 -0.04 1.98 1.04 -1.26 -2.28 113.70 113.05 2djm s SER 73 Ca 0.11 -0.50 -0.00 0.00 0.48 0.00 0.00 55.95 56.03 2djm s SER 73 Cb 0.01 -0.21 0.03 0.00 0.10 0.00 0.00 66.02 65.94 2djm s SER 73 CO -0.04 0.17 0.01 0.00 0.98 0.00 0.00 173.24 174.36 2djm s ALA 74 N -0.76 0.39 -0.74 5.32 0.00 0.22 -4.99 121.76 121.21 2djm s ALA 74 Ca 0.07 0.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.88 2djm s ALA 74 Cb -0.09 -0.45 0.04 0.00 0.00 0.00 0.00 23.12 22.63 2djm s ALA 74 CO 0.01 -0.21 1.21 0.45 0.00 0.00 0.00 175.76 177.23 2djm s SER 75 N 1.37 6.18 0.28 0.00 0.15 -1.26 0.05 113.70 120.47 2djm s SER 75 Ca -0.05 -0.64 -0.05 0.00 0.70 0.00 0.00 55.95 55.91 2djm s SER 75 Cb -0.13 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 2djm s SER 75 CO -0.02 -1.72 0.55 0.68 1.20 0.00 0.00 173.24 173.92 2djm s VAL 76 N 5.28 5.03 -0.47 4.45 -7.23 -1.25 -4.95 120.40 121.25 2djm s VAL 76 Ca 0.33 0.07 0.04 0.00 -1.81 0.00 0.00 61.98 60.61 2djm s VAL 76 Cb -0.10 -3.72 0.42 0.00 0.56 0.00 0.00 36.38 33.54 2djm s VAL 76 CO 0.12 -0.30 1.26 0.29 -0.31 0.00 0.00 175.10 176.17 2djm n LYS 77 N -0.86 3.35 -0.06 4.82 4.76 -1.26 -4.49 118.16 124.42 2djm n LYS 77 Ca -0.02 -4.30 0.00 0.00 -2.87 0.00 0.00 58.31 51.12 2djm n LYS 77 Cb 0.54 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.47 2djm n LYS 77 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2djm n GLY 78 N -0.53 0.08 2.84 0.72 0.00 -1.26 -4.68 105.19 102.36 2djm n GLY 78 Ca 0.42 -1.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.18 0.33 -0.10 -0.61 2.07 -1.26 -0.63 121.20 120.82 2djm s ILE 79 Ca 0.00 0.02 -0.03 0.00 -1.41 0.00 0.00 60.65 59.23 2djm s ILE 79 Cb 0.00 -0.41 -0.01 0.00 0.13 0.00 0.00 42.46 42.17 2djm s ILE 79 CO 0.00 0.19 -0.06 0.50 -1.91 0.00 0.00 174.94 173.66 2djm h LYS 80 N 7.38 0.00 -3.83 3.50 3.11 0.12 -3.38 116.57 123.48 2djm h LYS 80 Ca -0.37 0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 57.29 2djm h LYS 80 Cb 1.14 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 32.30 2djm h LYS 80 CO 0.44 0.00 -0.10 -1.21 -2.81 0.00 0.00 179.45 175.77 2djm s GLU 81 N -1.67 1.86 0.12 1.90 2.02 -0.56 -0.96 118.70 121.41 2djm s GLU 81 Ca -0.05 -1.57 -0.25 0.00 0.02 0.00 0.00 54.97 53.12 2djm s GLU 81 Cb 0.01 0.48 0.08 0.00 0.10 0.00 0.00 34.13 34.79 2djm s GLU 81 CO 0.07 -0.79 1.07 -0.59 0.02 0.00 0.00 175.26 175.04 2djm s PHE 82 N -3.20 -0.04 0.04 1.61 -0.71 -0.89 0.47 117.98 115.26 2djm s PHE 82 Ca 0.26 -0.25 -0.27 0.00 -1.04 0.00 0.00 56.93 55.63 2djm s PHE 82 Cb -0.01 0.64 0.07 0.00 -1.21 0.00 0.00 43.02 42.50 2djm s PHE 82 CO 0.16 -0.72 0.63 1.52 -1.34 0.00 0.00 175.22 175.46 2djm s TYR 83 N -2.68 -0.58 0.11 3.49 -0.85 -0.75 -0.66 117.35 115.43 2djm s TYR 83 Ca 0.17 0.76 0.00 0.00 -0.52 0.00 0.00 57.07 57.48 2djm s TYR 83 Cb -0.01 0.45 -0.04 0.00 0.38 0.00 0.00 41.96 42.75 2djm s TYR 83 CO 0.02 -0.70 0.27 0.42 -1.52 0.00 0.00 175.55 174.04 2djm s ILE 84 N -2.26 5.33 0.06 -3.49 -1.09 -0.60 -2.34 121.20 116.81 2djm s ILE 84 Ca -0.06 -0.42 0.05 0.00 -2.23 0.00 0.00 60.65 57.98 2djm s ILE 84 Cb -0.00 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 2djm s ILE 84 CO 0.00 0.03 -0.13 -1.59 -1.23 0.00 0.00 174.94 172.02 2djm s LYS 85 N -2.81 0.79 -0.32 2.79 -2.85 -1.05 0.39 119.74 116.69 2djm s LYS 85 Ca 0.36 -0.91 -0.02 0.00 -1.00 0.00 0.00 55.97 54.40 2djm s LYS 85 Cb -0.12 -0.77 0.06 0.00 -2.06 0.00 0.00 37.83 34.94 2djm s LYS 85 CO 0.28 0.17 0.03 -0.47 0.10 0.00 0.00 175.35 175.46 2djm s TYR 86 N -1.24 3.32 -0.29 1.78 5.04 -0.37 -2.71 117.35 122.89 2djm s TYR 86 Ca -0.03 -1.97 -0.08 0.00 -2.44 0.00 0.00 57.07 52.55 2djm s TYR 86 Cb -0.10 -2.28 -0.01 0.00 0.35 0.00 0.00 41.96 39.92 2djm s TYR 86 CO 0.02 -0.83 0.11 -2.00 -1.34 0.00 0.00 175.55 171.51 2djm s GLU 87 N 1.23 3.38 0.33 4.97 2.12 -0.26 -1.41 118.70 129.05 2djm s GLU 87 Ca -0.03 -0.68 0.07 0.00 0.36 0.00 0.00 54.97 54.70 2djm s GLU 87 Cb -0.20 -3.45 -0.06 0.00 0.26 0.00 0.00 34.13 30.68 2djm s GLU 87 CO -0.02 -0.35 -0.05 0.08 -0.54 0.00 0.00 175.26 174.39 2djm s VAL 88 N 1.59 1.83 0.24 3.70 1.01 0.05 -0.24 120.40 128.59 2djm s VAL 88 Ca 0.05 -2.12 -0.06 0.00 0.00 0.00 0.00 61.98 59.86 2djm s VAL 88 Cb -0.16 -2.64 0.25 0.00 0.00 0.00 0.00 36.38 33.82 2djm s VAL 88 CO 0.05 -0.19 1.67 0.28 0.00 0.00 0.00 175.10 176.91 2djm h SER 89 N 2.10 -0.12 0.00 3.32 0.02 -1.98 -3.17 113.55 113.72 2djm h SER 89 Ca -0.41 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2djm h SER 89 Cb 1.24 0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.03 2djm h SER 89 CO 0.71 -0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.91 2djm n GLY 90 N -1.37 0.81 3.50 -3.77 0.00 -1.26 -5.08 105.19 98.02 2djm n GLY 90 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.89 1.81 -0.12 1.61 -0.14 -1.20 -5.16 119.74 115.66 2djm s LYS 91 Ca 0.00 -2.06 -0.18 0.00 -1.36 0.00 0.00 55.97 52.37 2djm s LYS 91 Cb 0.00 -0.83 0.04 0.00 -1.68 0.00 0.00 37.83 35.37 2djm s LYS 91 CO 0.00 -0.32 0.45 0.99 -0.76 0.00 0.00 175.35 175.72 2djm s THR 92 N -3.22 0.01 0.12 2.17 2.01 -1.26 -0.77 115.64 114.71 2djm s THR 92 Ca 0.29 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.18 2djm s THR 92 Cb 0.06 -0.68 -0.00 0.00 0.01 0.00 0.00 72.50 71.88 2djm s THR 92 CO 0.14 -0.07 0.14 -1.22 -0.69 0.00 0.00 174.62 172.92 2djm n TYR 93 N 2.20 -0.53 -3.75 4.92 4.02 -0.50 -4.97 117.16 118.54 2djm n TYR 93 Ca -0.16 -0.95 -0.13 0.00 -0.01 0.00 0.00 57.90 56.65 2djm n TYR 93 Cb 0.57 0.15 -0.09 0.00 -0.02 0.00 0.00 39.34 39.95 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 -3.31 -0.24 -0.54 -0.72 2.02 -1.26 -1.24 117.35 112.06 2djm s TYR 94 Ca 0.13 0.44 0.02 0.00 -0.37 0.00 0.00 57.07 57.29 2djm s TYR 94 Cb 0.00 0.12 0.14 0.00 -0.40 0.00 0.00 41.96 41.82 2djm s TYR 94 CO 0.09 -0.36 0.30 0.34 -1.57 0.00 0.00 175.55 174.35 2djm s ASP 95 N -1.03 4.54 -0.11 2.29 2.15 0.16 -4.81 116.67 119.86 2djm s ASP 95 Ca -0.11 -2.97 0.19 0.00 0.43 0.00 0.00 52.55 50.09 2djm s ASP 95 Cb -0.04 -1.69 0.43 0.00 -0.30 0.00 0.00 42.92 41.32 2djm s ASP 95 CO 0.04 -0.26 1.19 -0.46 -0.17 0.00 0.00 175.17 175.50 2djm n ASN 96 N 3.21 1.50 0.00 -0.34 6.94 -1.26 -1.56 115.26 123.74 2djm n ASN 96 Ca 0.06 -2.84 0.00 0.00 -0.02 0.00 0.00 54.58 51.78 2djm n ASN 96 Cb 0.34 -0.40 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 -3.20 -1.03 0.00 0.00 177.26 173.03 2djm n ASN 97 N -0.26 0.00 0.00 0.53 2.85 -1.26 -3.29 115.26 113.82 2djm n ASN 97 Ca 0.13 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 2djm n ASN 97 Cb 0.94 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.96 2djm n ASN 97 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2djm n ASN 98 N 1.65 -0.02 -2.69 1.20 4.05 -1.26 -5.00 115.26 113.20 2djm n ASN 98 Ca 0.00 0.16 -0.05 0.00 0.45 0.00 0.00 54.58 55.14 2djm n ASN 98 Cb 0.00 0.18 0.07 0.00 1.23 0.00 0.00 39.78 41.26 2djm n ASN 98 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 2djm n SER 99 N -2.33 -1.68 0.00 1.20 2.88 -1.21 -5.02 113.62 107.46 2djm n SER 99 Ca 0.00 -2.17 0.00 0.00 -1.33 0.00 0.00 58.87 55.37 2djm n SER 99 Cb 0.00 1.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.48 2djm n SER 99 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2djm n ALA 100 N 1.47 1.10 -0.81 -1.46 0.00 -1.21 -5.16 120.51 114.44 2djm n ALA 100 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2djm n ALA 100 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.29 -4.42 -4.55 0.00 3.02 -1.21 -4.75 115.26 102.05 2djm n ASN 101 Ca 0.00 0.94 -0.43 0.00 -0.03 0.00 0.00 54.58 55.06 2djm n ASN 101 Cb 0.00 -2.13 -0.03 0.00 -0.61 0.00 0.00 39.78 37.01 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 -4.55 2.73 -0.18 3.10 2.02 0.17 -4.82 117.35 115.82 2djm s TYR 102 Ca 0.00 0.20 -0.29 0.00 -0.37 0.00 0.00 57.07 56.60 2djm s TYR 102 Cb 0.00 -4.24 -0.03 0.00 -0.40 0.00 0.00 41.96 37.28 2djm s TYR 102 CO 0.00 -1.42 1.65 -0.65 -1.57 0.00 0.00 175.55 173.56 2djm s GLN 103 N 4.33 3.87 -0.17 -0.62 1.11 -1.26 -2.10 119.66 124.82 2djm s GLN 103 Ca 0.36 1.81 -0.09 0.00 0.01 0.00 0.00 55.36 57.46 2djm s GLN 103 Cb -0.10 -4.03 -0.05 0.00 -1.01 0.00 0.00 33.01 27.82 2djm s GLN 103 CO 0.22 -1.21 0.13 0.08 0.01 0.00 0.00 175.29 174.52 2djm s VAL 104 N 5.02 5.41 -0.04 1.09 1.01 -0.14 -4.98 120.40 127.77 2djm s VAL 104 Ca 0.73 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.72 2djm s VAL 104 Cb -0.27 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.71 2djm s VAL 104 CO 0.29 0.51 0.38 -0.55 0.00 0.00 0.00 175.10 175.73 2djm s SER 105 N -0.15 -0.30 0.00 3.32 0.15 -1.26 -4.68 113.70 110.79 2djm s SER 105 Ca 0.10 0.29 0.29 0.00 0.70 0.00 0.00 55.95 57.33 2djm s SER 105 Cb -0.11 0.42 1.30 0.00 -1.71 0.00 0.00 66.02 65.92 2djm s SER 105 CO 0.00 -0.43 1.89 0.35 1.20 0.00 0.00 173.24 176.25