#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 0.74 0.13 0.00 7.64 -1.26 -5.02 113.62 115.84 2djm n SER 2 Ca 0.00 -1.64 -0.13 0.00 1.01 0.00 0.00 58.87 58.10 2djm n SER 2 Cb 0.00 -0.41 -0.06 0.00 -1.01 0.00 0.00 64.21 62.73 2djm n SER 2 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2djm h ILE 3 N -0.60 0.32 -2.69 0.44 1.08 -2.00 -3.43 117.51 110.63 2djm h ILE 3 Ca -0.20 0.00 -0.58 0.00 -0.39 0.00 0.00 64.86 63.69 2djm h ILE 3 Cb 0.73 0.32 0.08 0.00 -3.07 0.00 0.00 36.82 34.88 2djm h ILE 3 CO 0.21 0.00 0.61 -0.81 -0.69 0.00 0.00 178.15 177.47 2djm n PRO 4 N -5.42 2.03 0.03 2.37 -0.04 -1.26 -4.72 135.00 127.99 2djm n PRO 4 Ca -0.07 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 2djm n PRO 4 Cb 0.33 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 2djm n PRO 4 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2djm n SER 5 N 2.12 -0.59 0.00 3.54 2.88 -1.26 -5.05 113.62 115.26 2djm n SER 5 Ca 0.11 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 2djm n SER 5 Cb 0.32 0.85 0.00 0.00 -0.75 0.00 0.00 64.21 64.62 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 -2.53 0.00 -1.93 -3.46 7.64 -1.26 -5.08 113.62 107.00 2djm n SER 6 Ca 0.00 0.11 -0.08 0.00 1.01 0.00 0.00 58.87 59.91 2djm n SER 6 Cb 0.00 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.06 0.28 0.15 -0.43 0.00 -1.26 -5.03 120.51 113.17 2djm n ALA 7 Ca 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 53.44 52.67 2djm n ALA 7 Cb 0.00 0.63 0.33 0.00 0.00 0.00 0.00 19.45 20.41 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 0.81 0.10 -4.84 0.00 0.02 -1.97 -3.45 113.55 104.21 2djm h SER 8 Ca -0.10 -0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.65 2djm h SER 8 Cb 0.48 -0.03 -0.22 0.00 0.14 0.00 0.00 62.40 62.78 2djm h SER 8 CO 0.14 0.44 -0.67 0.54 -1.14 0.00 0.00 176.83 176.13 2djm s VAL 9 N -4.27 0.09 -0.03 2.27 0.11 -1.26 -0.43 120.40 116.87 2djm s VAL 9 Ca -0.04 -0.78 -0.01 0.00 -2.93 0.00 0.00 61.98 58.22 2djm s VAL 9 Cb 0.14 -0.26 0.03 0.00 -1.53 0.00 0.00 36.38 34.77 2djm s VAL 9 CO 0.74 -0.43 0.06 -1.58 -3.33 0.00 0.00 175.10 170.56 2djm s GLN 10 N -1.29 -0.01 0.36 1.54 0.74 0.12 -4.84 119.66 116.28 2djm s GLN 10 Ca -0.14 0.25 -0.27 0.00 0.05 0.00 0.00 55.36 55.25 2djm s GLN 10 Cb -0.09 -0.25 -0.09 0.00 1.10 0.00 0.00 33.01 33.69 2djm s GLN 10 CO -0.01 -0.18 1.23 -1.17 -0.55 0.00 0.00 175.29 174.61 2djm s LEU 11 N 1.18 4.32 -0.02 3.68 2.96 -1.26 -1.50 118.68 128.04 2djm s LEU 11 Ca -0.08 2.50 -0.01 0.00 -0.22 0.00 0.00 54.13 56.32 2djm s LEU 11 Cb -0.13 -3.83 -0.00 0.00 0.50 0.00 0.00 46.19 42.74 2djm s LEU 11 CO -0.04 -0.59 -0.01 -0.78 -1.32 0.00 0.00 176.35 173.61 2djm h ASP 12 N 3.05 0.00 -4.96 3.68 3.58 -1.84 -3.45 116.42 116.49 2djm h ASP 12 Ca -0.49 0.00 0.30 0.00 0.42 0.00 0.00 57.03 57.26 2djm h ASP 12 Cb 1.23 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 42.12 2djm h ASP 12 CO 0.64 0.08 0.84 -0.94 -2.88 0.00 0.00 179.24 176.98 2djm s SER 13 N -3.57 -0.09 0.04 2.28 1.04 -1.10 -5.02 113.70 107.28 2djm s SER 13 Ca -0.01 -0.06 -0.23 0.00 0.48 0.00 0.00 55.95 56.13 2djm s SER 13 Cb 0.00 0.13 0.05 0.00 0.10 0.00 0.00 66.02 66.31 2djm s SER 13 CO 0.01 -0.23 0.53 -0.72 0.98 0.00 0.00 173.24 173.81 2djm s TYR 14 N -2.37 -0.44 0.16 5.02 -0.85 -1.26 -0.94 117.35 116.67 2djm s TYR 14 Ca 0.12 0.52 0.05 0.00 -0.52 0.00 0.00 57.07 57.24 2djm s TYR 14 Cb 0.02 0.35 -0.04 0.00 0.38 0.00 0.00 41.96 42.66 2djm s TYR 14 CO -0.04 -0.64 -0.11 -0.80 -1.52 0.00 0.00 175.55 172.44 2djm s ASN 15 N -1.92 1.95 -0.03 -0.18 -0.87 0.23 -4.94 114.94 109.18 2djm s ASN 15 Ca -0.06 -1.01 0.06 0.00 -1.57 0.00 0.00 52.86 50.29 2djm s ASN 15 Cb -0.01 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.25 41.17 2djm s ASN 15 CO -0.01 -0.30 -0.23 -0.47 -2.57 0.00 0.00 177.10 173.53 2djm s TYR 16 N -3.23 2.09 -0.24 2.20 5.04 -1.25 -2.48 117.35 119.48 2djm s TYR 16 Ca 0.18 -0.48 -0.05 0.00 -2.44 0.00 0.00 57.07 54.28 2djm s TYR 16 Cb 0.02 -1.36 0.12 0.00 0.35 0.00 0.00 41.96 41.09 2djm s TYR 16 CO 0.02 -0.10 0.45 0.34 -1.34 0.00 0.00 175.55 174.93 2djm s ASP 17 N -0.37 -0.33 0.55 4.32 2.15 -1.21 -4.91 116.67 116.87 2djm s ASP 17 Ca 0.04 0.77 0.00 0.00 0.43 0.00 0.00 52.55 53.79 2djm s ASP 17 Cb -0.10 1.48 0.00 0.00 -0.30 0.00 0.00 42.92 44.00 2djm s ASP 17 CO 0.01 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.36 2djm n GLY 18 N 5.39 0.33 2.46 2.66 0.00 -1.26 -2.16 105.19 112.61 2djm n GLY 18 Ca -0.06 0.64 -0.29 0.00 0.00 0.00 0.00 46.02 46.31 2djm n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2djm s SER 19 N -4.00 2.70 -0.09 1.61 0.15 -1.26 -5.13 113.70 107.69 2djm s SER 19 Ca 0.00 -2.36 -0.08 0.00 0.70 0.00 0.00 55.95 54.21 2djm s SER 19 Cb 0.00 -0.42 0.02 0.00 -1.71 0.00 0.00 66.02 63.91 2djm s SER 19 CO 0.00 -0.28 0.23 -0.89 1.20 0.00 0.00 173.24 173.50 2djm s THR 20 N 0.86 -0.00 -0.40 6.45 2.01 -0.92 -4.17 115.64 119.47 2djm s THR 20 Ca 0.21 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 2djm s THR 20 Cb -0.18 -0.32 0.11 0.00 0.01 0.00 0.00 72.50 72.12 2djm s THR 20 CO -0.03 0.00 0.18 0.12 -0.69 0.00 0.00 174.62 174.20 2djm s PHE 21 N 0.12 3.62 0.09 4.92 5.36 0.27 -3.31 117.98 129.06 2djm s PHE 21 Ca -0.00 -2.61 0.07 0.00 -0.96 0.00 0.00 56.93 53.44 2djm s PHE 21 Cb -0.02 -3.14 -0.03 0.00 -0.34 0.00 0.00 43.02 39.49 2djm s PHE 21 CO 0.00 -0.95 -0.19 -1.54 -1.46 0.00 0.00 175.22 171.08 2djm s SER 22 N 1.47 2.33 0.00 6.13 1.04 -1.03 0.11 113.70 123.75 2djm s SER 22 Ca 0.10 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2djm s SER 22 Cb -0.22 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.79 2djm s SER 22 CO -0.05 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2djm n GLY 23 N 1.13 -0.70 3.55 7.32 0.00 -1.07 0.74 105.19 116.15 2djm n GLY 23 Ca -0.20 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.31 1.42 0.10 1.61 -2.85 -0.11 -1.09 119.74 117.50 2djm s LYS 24 Ca 0.00 -0.72 0.02 0.00 -1.00 0.00 0.00 55.97 54.27 2djm s LYS 24 Cb 0.00 0.57 -0.04 0.00 -2.06 0.00 0.00 37.83 36.30 2djm s LYS 24 CO 0.00 -0.62 -0.06 0.42 0.10 0.00 0.00 175.35 175.19 2djm s ILE 25 N -3.83 0.69 -0.28 3.79 1.01 0.22 -2.70 121.20 120.10 2djm s ILE 25 Ca 0.06 -1.94 -0.01 0.00 0.00 0.00 0.00 60.65 58.76 2djm s ILE 25 Cb -0.02 -1.71 0.09 0.00 0.01 0.00 0.00 42.46 40.83 2djm s ILE 25 CO -0.05 -0.85 0.08 -0.47 0.00 0.00 0.00 174.94 173.64 2djm s TYR 26 N -3.63 1.47 0.05 3.97 6.14 -0.57 -0.74 117.35 124.05 2djm s TYR 26 Ca 0.13 -1.45 0.02 0.00 0.64 0.00 0.00 57.07 56.40 2djm s TYR 26 Cb 0.05 -1.47 -0.03 0.00 0.42 0.00 0.00 41.96 40.93 2djm s TYR 26 CO -0.04 -0.80 -0.07 0.14 0.64 0.00 0.00 175.55 175.42 2djm s VAL 27 N 1.70 0.49 0.53 3.14 -7.23 -1.10 0.13 120.40 118.07 2djm s VAL 27 Ca 0.06 -1.21 -0.18 0.00 -1.81 0.00 0.00 61.98 58.84 2djm s VAL 27 Cb -0.17 -0.76 -0.07 0.00 0.56 0.00 0.00 36.38 35.94 2djm s VAL 27 CO -0.21 -0.50 1.02 -1.59 -0.31 0.00 0.00 175.10 173.52 2djm s LYS 28 N -1.99 3.69 -0.24 4.82 -2.85 0.42 0.13 119.74 123.72 2djm s LYS 28 Ca -0.07 1.17 -0.08 0.00 -1.00 0.00 0.00 55.97 56.00 2djm s LYS 28 Cb -0.07 -2.09 -0.03 0.00 -2.06 0.00 0.00 37.83 33.58 2djm s LYS 28 CO -0.01 -0.50 0.09 1.21 0.10 0.00 0.00 175.35 176.24 2djm s ASN 29 N -2.59 5.38 -0.15 0.03 2.47 -1.22 -4.74 114.94 114.12 2djm s ASN 29 Ca 0.63 -0.12 -0.10 0.00 0.42 0.00 0.00 52.86 53.70 2djm s ASN 29 Cb -0.14 -1.97 -0.07 0.00 -1.45 0.00 0.00 41.25 37.63 2djm s ASN 29 CO 0.29 0.00 -0.23 -0.38 -3.72 0.00 0.00 177.10 173.06 2djm n ILE 30 N 4.68 1.11 -4.13 -5.21 5.41 -1.26 -4.99 119.36 114.97 2djm n ILE 30 Ca -0.16 -0.12 -0.15 0.00 1.00 0.00 0.00 62.75 63.33 2djm n ILE 30 Cb 0.52 -1.84 -0.11 0.00 -0.71 0.00 0.00 39.64 37.49 2djm n ILE 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2djm s ALA 31 N -2.41 0.92 0.00 -1.39 0.00 -1.26 -5.12 121.76 112.50 2djm s ALA 31 Ca -0.24 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.73 2djm s ALA 31 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.21 2djm s ALA 31 CO 0.31 0.01 0.30 0.66 0.00 0.00 0.00 175.76 177.04 2djm n TYR 32 N 1.03 0.00 -0.13 0.00 4.01 -1.26 -4.73 117.16 116.08 2djm n TYR 32 Ca -0.20 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.50 2djm n TYR 32 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.58 2djm n TYR 32 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2djm n SER 33 N -0.32 0.04 -4.51 7.72 7.64 -1.26 -4.45 113.62 118.48 2djm n SER 33 Ca 0.00 0.04 -0.42 0.00 1.01 0.00 0.00 58.87 59.49 2djm n SER 33 Cb 0.00 -0.08 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 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 0.71 3.29 -0.91 1.43 1.02 -1.26 -3.95 119.74 120.07 2djm s LYS 34 Ca 0.12 -0.50 -0.23 0.00 0.02 0.00 0.00 55.97 55.38 2djm s LYS 34 Cb -0.13 -3.92 -0.20 0.00 -0.52 0.00 0.00 37.83 33.06 2djm s LYS 34 CO 0.05 -0.83 1.94 0.36 -0.92 0.00 0.00 175.35 175.95 2djm n LYS 35 N 5.80 0.08 -3.59 1.68 2.85 -0.06 -4.87 118.16 120.03 2djm n LYS 35 Ca -0.05 -1.44 -0.21 0.00 -1.05 0.00 0.00 58.31 55.57 2djm n LYS 35 Cb 0.48 -3.48 -0.15 0.00 -0.65 0.00 0.00 35.03 31.22 2djm n LYS 35 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2djm s VAL 36 N 14.74 -0.21 -0.28 0.58 1.01 -1.25 -3.13 120.40 131.86 2djm s VAL 36 Ca 0.69 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 2djm s VAL 36 Cb -0.04 -0.49 0.09 0.00 0.00 0.00 0.00 36.38 35.94 2djm s VAL 36 CO 0.16 -0.10 0.07 0.42 0.00 0.00 0.00 175.10 175.65 2djm s THR 37 N 2.24 0.91 -0.55 3.92 -4.23 -0.12 -2.17 115.64 115.64 2djm s THR 37 Ca 0.04 -1.25 -0.28 0.00 -1.18 0.00 0.00 61.69 59.02 2djm s THR 37 Cb -0.14 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 72.11 2djm s THR 37 CO -0.08 -0.54 1.57 -0.69 -0.54 0.00 0.00 174.62 174.34 2djm s VAL 38 N 1.62 3.64 -0.38 2.29 1.01 0.15 -0.36 120.40 128.36 2djm s VAL 38 Ca 0.06 0.52 -0.12 0.00 0.00 0.00 0.00 61.98 62.44 2djm s VAL 38 Cb -0.17 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 31.99 2djm s VAL 38 CO -0.20 -1.04 0.24 0.68 0.00 0.00 0.00 175.10 174.78 2djm s VAL 39 N 6.89 4.81 0.09 2.92 -7.23 -1.05 -0.33 120.40 126.49 2djm s VAL 39 Ca 0.59 -0.78 0.03 0.00 -1.81 0.00 0.00 61.98 60.01 2djm s VAL 39 Cb -0.13 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.10 2djm s VAL 39 CO 0.24 -0.25 0.10 -0.72 -0.31 0.00 0.00 175.10 174.16 2djm s TYR 40 N 1.60 3.20 -1.17 2.82 -0.85 -0.58 -2.06 117.35 120.31 2djm s TYR 40 Ca 0.03 0.07 -0.21 0.00 -0.52 0.00 0.00 57.07 56.44 2djm s TYR 40 Cb -0.19 -1.61 -0.02 0.00 0.38 0.00 0.00 41.96 40.52 2djm s TYR 40 CO 0.08 0.52 1.82 0.00 -1.52 0.00 0.00 175.55 176.45 2djm s ALA 41 N -1.46 2.38 0.62 9.51 0.00 0.19 -4.88 121.76 128.12 2djm s ALA 41 Ca 0.30 -2.33 -0.03 0.00 0.00 0.00 0.00 51.96 49.90 2djm s ALA 41 Cb -0.12 -4.64 0.05 0.00 0.00 0.00 0.00 23.12 18.41 2djm s ALA 41 CO 0.23 -4.37 0.11 -0.40 0.00 0.00 0.00 175.76 171.32 2djm n ASP 42 N 11.78 -1.52 0.02 0.00 5.68 -1.26 0.26 116.55 131.51 2djm n ASP 42 Ca 0.44 -0.11 0.21 0.00 -0.50 0.00 0.00 54.79 54.83 2djm n ASP 42 Cb 0.47 -0.19 0.71 0.00 -1.14 0.00 0.00 41.12 40.98 2djm n ASP 42 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2djm h GLY 43 N -1.08 0.00 2.00 6.12 0.00 -1.65 0.24 103.07 108.70 2djm h GLY 43 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2djm h GLY 43 CO 0.03 0.00 0.00 0.23 0.00 0.00 0.00 176.54 176.80 2djm h SER 44 N 0.00 0.00 -3.16 0.19 0.87 -1.89 -3.46 113.55 106.10 2djm h SER 44 Ca 0.24 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.55 2djm h SER 44 Cb 1.03 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 63.03 2djm h SER 44 CO -0.00 0.00 -0.39 -0.67 -0.53 0.00 0.00 176.83 175.24 2djm n ASP 45 N -2.59 -4.48 -3.85 6.23 -0.08 0.85 -4.99 116.55 107.65 2djm n ASP 45 Ca 0.02 -0.21 -0.09 0.00 -1.51 0.00 0.00 54.79 53.00 2djm n ASP 45 Cb 0.30 -3.30 -0.07 0.00 2.34 0.00 0.00 41.12 40.39 2djm n ASP 45 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2djm s ASN 46 N -2.88 0.07 -0.75 1.67 3.84 -1.26 -4.99 114.94 110.64 2djm s ASN 46 Ca 0.22 -0.64 0.02 0.00 0.21 0.00 0.00 52.86 52.66 2djm s ASN 46 Cb -0.10 0.37 0.18 0.00 -0.55 0.00 0.00 41.25 41.15 2djm s ASN 46 CO 0.27 -0.76 0.57 0.26 -2.79 0.00 0.00 177.10 174.65 2djm s TRP 47 N -3.87 3.63 0.40 0.43 0.52 -1.26 -4.22 118.94 114.57 2djm s TRP 47 Ca 0.06 -3.15 0.08 0.00 0.02 0.00 0.00 56.10 53.10 2djm s TRP 47 Cb 0.04 -2.96 -0.06 0.00 -1.15 0.00 0.00 33.47 29.34 2djm s TRP 47 CO -0.10 -0.66 0.09 0.54 0.02 0.00 0.00 176.95 176.84 2djm s ASN 48 N -0.66 4.18 -1.20 2.95 4.22 -1.26 -5.02 114.94 118.16 2djm s ASN 48 Ca 0.24 -1.16 -0.09 0.00 -2.14 0.00 0.00 52.86 49.71 2djm s ASN 48 Cb -0.09 -0.46 -0.13 0.00 1.28 0.00 0.00 41.25 41.85 2djm s ASN 48 CO -0.12 -0.45 3.08 -0.46 -2.04 0.00 0.00 177.10 177.11 2djm n ASN 49 N -1.09 7.72 -0.71 3.54 6.94 -1.26 -4.46 115.26 125.95 2djm n ASN 49 Ca -0.03 -2.53 0.05 0.00 -0.02 0.00 0.00 54.58 52.05 2djm n ASN 49 Cb 0.65 -1.50 0.15 0.00 -2.36 0.00 0.00 39.78 36.73 2djm n ASN 49 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2djm n ASN 50 N 3.34 2.02 -0.74 0.53 5.15 -1.26 -4.84 115.26 119.47 2djm n ASN 50 Ca 0.68 -2.07 -0.05 0.00 -0.60 0.00 0.00 54.58 52.54 2djm n ASN 50 Cb 0.39 -0.29 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 2djm n ASN 50 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2djm n GLY 51 N 0.90 0.33 1.94 8.20 0.00 -1.26 -4.93 105.19 110.37 2djm n GLY 51 Ca 0.11 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 2djm n GLY 51 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2djm n ASN 52 N 0.93 5.06 -4.26 1.61 6.94 -1.26 -4.86 115.26 119.42 2djm n ASN 52 Ca -0.04 -3.21 -0.29 0.00 -0.02 0.00 0.00 54.58 51.02 2djm n ASN 52 Cb 0.53 -0.86 -0.16 0.00 -2.36 0.00 0.00 39.78 36.93 2djm n ASN 52 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2djm s ILE 53 N -2.72 1.83 -0.15 1.53 -1.16 -1.25 -1.53 121.20 117.76 2djm s ILE 53 Ca 0.41 -0.98 0.00 0.00 -0.51 0.00 0.00 60.65 59.57 2djm s ILE 53 Cb 0.34 -1.52 -0.00 0.00 0.61 0.00 0.00 42.46 41.88 2djm s ILE 53 CO 0.04 0.52 -0.15 -0.51 -2.81 0.00 0.00 174.94 172.02 2djm s ILE 54 N -0.48 2.69 -0.15 2.00 1.10 0.54 -4.90 121.20 122.01 2djm s ILE 54 Ca 0.07 -0.77 -0.20 0.00 -0.51 0.00 0.00 60.65 59.24 2djm s ILE 54 Cb -0.10 -2.13 -0.03 0.00 0.15 0.00 0.00 42.46 40.35 2djm s ILE 54 CO -0.00 0.52 0.59 0.00 -2.11 0.00 0.00 174.94 173.94 2djm s ALA 55 N 0.70 3.48 0.75 1.50 0.00 -1.26 0.34 121.76 127.28 2djm s ALA 55 Ca -0.07 -0.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.61 2djm s ALA 55 Cb -0.16 -2.87 0.06 0.00 0.00 0.00 0.00 23.12 20.16 2djm s ALA 55 CO 0.02 -0.30 1.11 0.00 0.00 0.00 0.00 175.76 176.58 2djm s ALA 56 N 1.32 2.85 -0.05 0.00 0.00 -0.92 -4.98 121.76 119.97 2djm s ALA 56 Ca 0.29 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.62 2djm s ALA 56 Cb -0.16 -2.87 0.01 0.00 0.00 0.00 0.00 23.12 20.10 2djm s ALA 56 CO 0.12 -1.44 -0.14 0.45 0.00 0.00 0.00 175.76 174.75 2djm s SER 57 N -4.51 1.87 0.37 0.00 0.15 -1.09 -4.86 113.70 105.63 2djm s SER 57 Ca 0.60 -0.31 -0.24 0.00 0.70 0.00 0.00 55.95 56.70 2djm s SER 57 Cb -0.11 -0.68 -0.10 0.00 -1.71 0.00 0.00 66.02 63.42 2djm s SER 57 CO 0.48 0.09 1.00 0.72 1.20 0.00 0.00 173.24 176.72 2djm s PHE 58 N 0.35 3.45 -0.10 3.44 -0.71 -1.26 -1.07 117.98 122.07 2djm s PHE 58 Ca -0.09 1.70 0.07 0.00 -1.04 0.00 0.00 56.93 57.57 2djm s PHE 58 Cb -0.13 -3.01 -0.24 0.00 -1.21 0.00 0.00 43.02 38.43 2djm s PHE 58 CO 0.03 -0.23 0.45 0.43 -1.34 0.00 0.00 175.22 174.56 2djm n SER 59 N 0.12 1.17 0.00 1.98 7.64 0.26 -4.85 113.62 119.94 2djm n SER 59 Ca 0.04 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2djm n SER 59 Cb 0.50 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 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 1.75 2.08 3.73 0.23 0.00 -1.12 -5.02 105.19 106.85 2djm n GLY 60 Ca -0.25 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 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 4.35 -0.07 1.61 0.02 -1.26 -1.03 135.00 136.62 2djm s PRO 61 Ca 0.00 2.12 -0.30 0.00 0.02 0.00 0.00 61.00 62.84 2djm s PRO 61 Cb 0.00 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 2djm s PRO 61 CO 0.00 -0.33 1.43 0.42 -0.33 0.00 0.00 177.00 178.19 2djm s ILE 62 N 0.30 3.85 0.15 2.83 1.01 0.87 -4.91 121.20 125.30 2djm s ILE 62 Ca 0.59 1.12 -0.33 0.00 0.00 0.00 0.00 60.65 62.04 2djm s ILE 62 Cb -0.38 -3.72 -0.12 0.00 0.01 0.00 0.00 42.46 38.25 2djm s ILE 62 CO 0.38 -0.06 1.72 -1.54 0.00 0.00 0.00 174.94 175.43 2djm n SER 63 N 6.25 3.68 -0.41 3.58 3.41 -1.26 -1.05 113.62 127.82 2djm n SER 63 Ca 0.15 1.04 -0.05 0.00 -0.26 0.00 0.00 58.87 59.74 2djm n SER 63 Cb 0.44 -1.51 -0.02 0.00 -0.26 0.00 0.00 64.21 62.86 2djm n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2djm n GLY 64 N 3.89 0.74 3.36 5.00 0.00 -1.26 -4.98 105.19 111.93 2djm n GLY 64 Ca 0.17 -0.33 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.50 1.94 -0.18 1.61 0.01 -0.21 -5.03 113.70 109.34 2djm s SER 65 Ca 0.00 -1.25 0.16 0.00 1.31 0.00 0.00 55.95 56.16 2djm s SER 65 Cb 0.00 -0.01 0.72 0.00 0.21 0.00 0.00 66.02 66.94 2djm s SER 65 CO 0.00 -0.53 1.64 0.59 0.41 0.00 0.00 173.24 175.35 2djm n ASN 66 N -0.48 5.01 -4.61 2.44 4.13 -1.26 -4.67 115.26 115.82 2djm n ASN 66 Ca -0.04 -2.75 -0.28 0.00 1.68 0.00 0.00 54.58 53.20 2djm n ASN 66 Cb 0.64 -0.61 -0.11 0.00 -1.54 0.00 0.00 39.78 38.17 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 -2.39 2.49 0.42 3.10 1.51 -1.26 -3.38 117.35 117.84 2djm s TYR 67 Ca 0.50 -0.65 0.07 0.00 -1.01 0.00 0.00 57.07 55.98 2djm s TYR 67 Cb 0.36 -1.72 -0.06 0.00 -0.11 0.00 0.00 41.96 40.44 2djm s TYR 67 CO 0.18 0.46 0.09 -2.00 -1.11 0.00 0.00 175.55 173.16 2djm s GLU 68 N -3.70 2.09 -0.17 -0.62 2.12 0.35 -0.09 118.70 118.67 2djm s GLU 68 Ca 0.35 -2.02 -0.04 0.00 0.36 0.00 0.00 54.97 53.61 2djm s GLU 68 Cb 0.09 -1.78 0.06 0.00 0.26 0.00 0.00 34.13 32.76 2djm s GLU 68 CO 0.18 -0.11 0.07 -0.47 -0.54 0.00 0.00 175.26 174.39 2djm s TYR 69 N -2.68 0.47 0.06 5.30 5.04 -0.20 -2.69 117.35 122.65 2djm s TYR 69 Ca 0.36 -0.47 0.05 0.00 -2.44 0.00 0.00 57.07 54.57 2djm s TYR 69 Cb 0.07 -0.80 -0.04 0.00 0.35 0.00 0.00 41.96 41.54 2djm s TYR 69 CO 0.19 -0.53 -0.08 -1.58 -1.34 0.00 0.00 175.55 172.21 2djm s TRP 70 N 2.05 2.81 -0.01 4.97 0.52 0.09 0.90 118.94 130.26 2djm s TRP 70 Ca 0.01 -0.11 -0.02 0.00 0.02 0.00 0.00 56.10 56.00 2djm s TRP 70 Cb -0.16 -1.51 0.00 0.00 -1.15 0.00 0.00 33.47 30.65 2djm s TRP 70 CO -0.08 0.40 0.05 0.95 0.02 0.00 0.00 176.95 178.29 2djm s THR 71 N -1.14 0.03 0.25 2.01 -4.23 -0.24 -0.61 115.64 111.72 2djm s THR 71 Ca 0.20 -0.25 -0.15 0.00 -1.18 0.00 0.00 61.69 60.31 2djm s THR 71 Cb -0.11 -0.16 0.00 0.00 1.34 0.00 0.00 72.50 73.57 2djm s THR 71 CO 0.12 -0.14 0.54 0.72 -0.54 0.00 0.00 174.62 175.32 2djm s PHE 72 N -0.40 0.19 -0.06 3.99 -0.71 -0.25 -2.67 117.98 118.06 2djm s PHE 72 Ca -0.05 -0.57 -0.05 0.00 -1.04 0.00 0.00 56.93 55.22 2djm s PHE 72 Cb -0.03 0.33 0.02 0.00 -1.21 0.00 0.00 43.02 42.13 2djm s PHE 72 CO 0.00 -1.04 0.16 -1.54 -1.34 0.00 0.00 175.22 171.46 2djm s SER 73 N -2.98 -0.16 -0.08 1.98 1.04 -1.26 -2.60 113.70 109.64 2djm s SER 73 Ca 0.18 0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.92 2djm s SER 73 Cb -0.02 0.29 0.03 0.00 0.10 0.00 0.00 66.02 66.42 2djm s SER 73 CO 0.07 -0.08 -0.02 0.00 0.98 0.00 0.00 173.24 174.19 2djm s ALA 74 N 0.38 0.84 -0.74 5.32 0.00 0.29 -4.99 121.76 122.87 2djm s ALA 74 Ca -0.02 -0.21 -0.27 0.00 0.00 0.00 0.00 51.96 51.45 2djm s ALA 74 Cb -0.04 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.35 2djm s ALA 74 CO -0.02 -0.41 1.38 0.45 0.00 0.00 0.00 175.76 177.16 2djm s SER 75 N 1.82 6.04 0.15 0.00 0.15 -1.26 -0.56 113.70 120.04 2djm s SER 75 Ca 0.04 -0.39 0.11 0.00 0.70 0.00 0.00 55.95 56.40 2djm s SER 75 Cb -0.12 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 2djm s SER 75 CO -0.05 -1.91 -0.26 0.68 1.20 0.00 0.00 173.24 172.90 2djm s VAL 76 N 6.23 2.28 -0.04 4.45 -7.23 -1.26 -4.95 120.40 119.88 2djm s VAL 76 Ca 0.41 -1.85 0.24 0.00 -1.81 0.00 0.00 61.98 58.97 2djm s VAL 76 Cb -0.08 -2.03 0.41 0.00 0.56 0.00 0.00 36.38 35.24 2djm s VAL 76 CO 0.14 0.01 1.16 2.29 -0.31 0.00 0.00 175.10 178.39 2djm n LYS 77 N 0.69 0.23 0.00 4.82 0.00 -1.26 -3.91 118.16 118.72 2djm n LYS 77 Ca -0.16 -2.12 0.00 0.00 -0.00 0.00 0.00 58.31 56.03 2djm n LYS 77 Cb 0.54 -0.17 0.00 0.00 -0.00 0.00 0.00 35.03 35.40 2djm n LYS 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2djm n GLY 78 N 0.32 -1.25 3.32 2.58 0.00 -1.26 -4.94 105.19 103.95 2djm n GLY 78 Ca 0.04 0.95 -0.13 0.00 0.00 0.00 0.00 46.02 46.87 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 0.01 -0.02 -0.61 2.07 -1.26 -1.70 121.20 119.68 2djm s ILE 79 Ca 0.00 -0.07 -0.04 0.00 -1.41 0.00 0.00 60.65 59.14 2djm s ILE 79 Cb 0.00 -0.61 -0.02 0.00 0.13 0.00 0.00 42.46 41.95 2djm s ILE 79 CO 0.00 -0.04 -0.09 0.29 -1.91 0.00 0.00 174.94 173.20 2djm n LYS 80 N 2.56 0.14 -4.38 3.50 4.76 0.14 -4.84 118.16 120.04 2djm n LYS 80 Ca -0.15 0.06 -0.21 0.00 -2.87 0.00 0.00 58.31 55.14 2djm n LYS 80 Cb 0.57 -0.73 -0.09 0.00 -1.84 0.00 0.00 35.03 32.94 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 -2.16 1.74 -0.03 1.97 0.41 -1.12 -0.80 118.70 118.70 2djm s GLU 81 Ca -0.08 -2.02 -0.30 0.00 -0.41 0.00 0.00 54.97 52.16 2djm s GLU 81 Cb 0.02 -0.15 0.11 0.00 -1.78 0.00 0.00 34.13 32.34 2djm s GLU 81 CO 0.11 -0.51 0.95 -0.59 -0.49 0.00 0.00 175.26 174.73 2djm s PHE 82 N -3.44 -0.29 -0.06 1.61 -0.12 -0.65 0.55 117.98 115.57 2djm s PHE 82 Ca 0.33 0.17 -0.10 0.00 -0.05 0.00 0.00 56.93 57.28 2djm s PHE 82 Cb 0.04 0.54 0.02 0.00 -0.63 0.00 0.00 43.02 42.98 2djm s PHE 82 CO 0.19 -0.49 0.25 1.52 -0.05 0.00 0.00 175.22 176.64 2djm s TYR 83 N -2.99 -0.20 -0.04 3.49 -0.85 -0.88 -1.39 117.35 114.49 2djm s TYR 83 Ca 0.06 0.44 -0.18 0.00 -0.52 0.00 0.00 57.07 56.88 2djm s TYR 83 Cb -0.01 0.07 -0.05 0.00 0.38 0.00 0.00 41.96 42.35 2djm s TYR 83 CO -0.08 -0.22 0.49 0.42 -1.52 0.00 0.00 175.55 174.65 2djm s ILE 84 N -0.47 5.03 -0.35 -3.49 -1.09 -0.73 -2.54 121.20 117.56 2djm s ILE 84 Ca -0.06 1.02 -0.22 0.00 -2.23 0.00 0.00 60.65 59.16 2djm s ILE 84 Cb -0.04 -3.82 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 2djm s ILE 84 CO 0.01 0.44 0.74 -0.54 -1.23 0.00 0.00 174.94 174.36 2djm s LYS 85 N -0.19 3.76 -0.68 2.79 1.02 0.51 -0.17 119.74 126.78 2djm s LYS 85 Ca 0.27 0.27 -0.24 0.00 0.02 0.00 0.00 55.97 56.29 2djm s LYS 85 Cb -0.17 -3.80 0.06 0.00 -0.52 0.00 0.00 37.83 33.41 2djm s LYS 85 CO 0.14 -0.79 1.04 -0.47 -0.92 0.00 0.00 175.35 174.34 2djm s TYR 86 N 2.97 2.58 -0.29 3.18 5.04 -0.51 -0.95 117.35 129.37 2djm s TYR 86 Ca 0.29 -0.43 0.02 0.00 -2.44 0.00 0.00 57.07 54.52 2djm s TYR 86 Cb -0.14 -4.37 0.08 0.00 0.35 0.00 0.00 41.96 37.88 2djm s TYR 86 CO 0.16 -1.75 0.01 -2.00 -1.34 0.00 0.00 175.55 170.62 2djm s GLU 87 N 4.46 1.46 0.33 4.97 2.12 -1.18 -0.71 118.70 130.15 2djm s GLU 87 Ca 0.25 -1.39 0.08 0.00 0.36 0.00 0.00 54.97 54.27 2djm s GLU 87 Cb -0.15 -2.75 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 2djm s GLU 87 CO 0.11 -0.80 0.17 0.08 -0.54 0.00 0.00 175.26 174.28 2djm s VAL 88 N 1.21 3.24 0.00 3.70 1.01 0.15 -0.88 120.40 128.83 2djm s VAL 88 Ca 0.03 -1.62 -0.00 0.00 0.00 0.00 0.00 61.98 60.40 2djm s VAL 88 Cb -0.19 -3.04 -0.00 0.00 0.00 0.00 0.00 36.38 33.15 2djm s VAL 88 CO -0.10 -0.20 1.73 -1.20 0.00 0.00 0.00 175.10 175.33 2djm n SER 89 N -1.19 4.56 0.00 3.32 7.64 -1.25 -3.23 113.62 123.46 2djm n SER 89 Ca -0.03 -2.20 0.00 0.00 1.01 0.00 0.00 58.87 57.64 2djm n SER 89 Cb 0.61 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 2djm n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djm n GLY 90 N 1.59 0.14 3.63 0.23 0.00 -1.26 -5.13 105.19 104.39 2djm n GLY 90 Ca 0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 2.34 -0.13 1.61 3.01 -1.20 -5.13 119.74 120.25 2djm s LYS 91 Ca 0.00 -0.92 -0.11 0.00 -1.01 0.00 0.00 55.97 53.93 2djm s LYS 91 Cb 0.00 -2.42 0.04 0.00 -1.01 0.00 0.00 37.83 34.43 2djm s LYS 91 CO 0.00 0.53 0.34 0.99 0.51 0.00 0.00 175.35 177.72 2djm s THR 92 N -1.24 -0.01 0.00 2.17 2.01 -1.26 0.30 115.64 117.62 2djm s THR 92 Ca 0.23 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.25 2djm s THR 92 Cb -0.11 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 71.92 2djm s THR 92 CO 0.15 0.01 0.00 -1.22 -0.69 0.00 0.00 174.62 172.87 2djm n TYR 93 N 3.11 -0.22 -3.82 4.92 4.02 0.11 -5.01 117.16 120.26 2djm n TYR 93 Ca -0.15 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.62 2djm n TYR 93 Cb 0.57 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.77 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 -3.39 -0.15 -0.78 -0.72 2.02 -1.26 -1.42 117.35 111.64 2djm s TYR 94 Ca 0.00 0.36 -0.16 0.00 -0.37 0.00 0.00 57.07 56.90 2djm s TYR 94 Cb 0.00 0.05 0.17 0.00 -0.40 0.00 0.00 41.96 41.77 2djm s TYR 94 CO 0.00 -0.09 0.83 0.34 -1.57 0.00 0.00 175.55 175.06 2djm s ASP 95 N 0.01 6.56 -0.06 2.29 2.15 0.76 -4.79 116.67 123.59 2djm s ASP 95 Ca -0.01 -2.19 0.08 0.00 0.43 0.00 0.00 52.55 50.86 2djm s ASP 95 Cb -0.01 -2.28 0.13 0.00 -0.30 0.00 0.00 42.92 40.46 2djm s ASP 95 CO 0.00 -0.83 1.03 -3.20 -0.17 0.00 0.00 175.17 172.00 2djm n ASN 96 N 5.23 1.20 0.00 -0.34 4.05 -1.26 -1.78 115.26 122.35 2djm n ASN 96 Ca 0.09 -2.41 0.00 0.00 0.45 0.00 0.00 54.58 52.71 2djm n ASN 96 Cb 0.46 -0.27 0.00 0.00 1.23 0.00 0.00 39.78 41.20 2djm n ASN 96 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2djm n ASN 97 N -0.68 0.00 0.15 1.20 2.85 -1.26 -2.52 115.26 114.99 2djm n ASN 97 Ca 0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 2djm n ASN 97 Cb 0.62 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.64 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 1.19 -2.60 -2.04 1.20 2.85 -1.26 -4.96 115.26 109.65 2djm n ASN 98 Ca 0.00 0.57 -0.02 0.00 -0.11 0.00 0.00 54.58 55.02 2djm n ASN 98 Cb 0.00 2.59 0.06 0.00 1.24 0.00 0.00 39.78 43.67 2djm n ASN 98 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2djm n SER 99 N -3.11 -0.86 -0.12 1.20 2.88 -1.15 -5.02 113.62 107.44 2djm n SER 99 Ca 0.00 -1.68 -0.17 0.00 -1.33 0.00 0.00 58.87 55.69 2djm n SER 99 Cb 0.00 0.39 -0.13 0.00 -0.75 0.00 0.00 64.21 63.72 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 -0.83 1.43 -0.64 -1.46 0.00 -1.05 -5.11 120.51 112.85 2djm n ALA 100 Ca -0.12 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.20 2djm n ALA 100 Cb 0.71 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -3.17 -3.90 -4.37 0.00 3.02 -1.23 -4.83 115.26 100.78 2djm n ASN 101 Ca -0.43 0.55 -0.45 0.00 -0.03 0.00 0.00 54.58 54.23 2djm n ASN 101 Cb 1.03 -1.35 -0.05 0.00 -0.61 0.00 0.00 39.78 38.80 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 -3.03 3.01 0.08 3.10 2.02 -0.48 -4.87 117.35 117.18 2djm s TYR 102 Ca 0.00 -0.97 -0.30 0.00 -0.37 0.00 0.00 57.07 55.43 2djm s TYR 102 Cb 0.00 -3.99 -0.05 0.00 -0.40 0.00 0.00 41.96 37.52 2djm s TYR 102 CO 0.00 -1.27 1.09 1.14 -1.57 0.00 0.00 175.55 174.94 2djm s GLN 103 N 2.61 4.53 0.37 -0.62 0.00 -1.26 -1.64 119.66 123.65 2djm s GLN 103 Ca 0.11 1.63 -0.14 0.00 -0.00 0.00 0.00 55.36 56.97 2djm s GLN 103 Cb -0.24 -3.36 -0.08 0.00 0.00 0.00 0.00 33.01 29.32 2djm s GLN 103 CO 0.06 -0.07 0.78 0.08 0.00 0.00 0.00 175.29 176.14 2djm s VAL 104 N 0.60 4.69 -1.37 3.63 1.01 0.02 -4.97 120.40 124.01 2djm s VAL 104 Ca 0.53 0.87 -0.13 0.00 0.00 0.00 0.00 61.98 63.26 2djm s VAL 104 Cb -0.27 -3.66 0.09 0.00 0.00 0.00 0.00 36.38 32.55 2djm s VAL 104 CO 0.30 -0.35 2.02 -0.24 0.00 0.00 0.00 175.10 176.83 2djm n SER 105 N -0.81 4.46 -0.69 3.32 2.88 -1.26 -4.96 113.62 116.56 2djm n SER 105 Ca 0.03 -2.95 0.13 0.00 -1.33 0.00 0.00 58.87 54.76 2djm n SER 105 Cb 0.54 -1.60 0.34 0.00 -0.75 0.00 0.00 64.21 62.74 2djm n SER 105 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16