#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df8 s ASN -1 N 0.00 3.19 0.16 -3.46 -0.87 -1.26 -4.48 114.94 108.22 3df8 s ASN -1 Ca 0.00 -0.91 0.00 0.00 -1.57 0.00 0.00 52.86 50.38 3df8 s ASN -1 Cb 0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 41.25 41.00 3df8 s ASN -1 CO 0.00 0.04 0.00 0.00 -2.57 0.00 0.00 177.10 174.57 3df8 n ALA 0 N 0.06 0.00 0.00 0.60 0.00 0.77 -4.94 120.51 117.00 3df8 n ALA 0 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3df8 n ALA 0 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3df8 n ALA 0 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3df8 n LEU 2 N 0.00 0.00 -4.71 0.00 4.77 0.11 -1.31 117.00 115.86 3df8 n LEU 2 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3df8 n LEU 2 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3df8 n LEU 2 CO 0.00 0.00 1.16 -0.60 -1.33 0.00 0.00 177.39 176.62 3df8 s ARG 3 N 0.00 4.27 -0.36 3.23 6.06 -1.26 -0.10 118.95 130.79 3df8 s ARG 3 Ca 0.00 2.16 0.01 0.00 -2.50 0.00 0.00 55.73 55.40 3df8 s ARG 3 Cb 0.00 -3.36 0.14 0.00 0.06 0.00 0.00 34.95 31.79 3df8 s ARG 3 CO 0.00 -0.55 0.23 -0.47 -2.50 0.00 0.00 175.30 172.00 3df8 s TYR 4 N 1.65 0.78 0.00 5.12 5.04 0.25 -4.91 117.35 125.28 3df8 s TYR 4 Ca 0.67 -1.72 0.00 0.00 -2.44 0.00 0.00 57.07 53.59 3df8 s TYR 4 Cb -0.38 -0.93 0.00 0.00 0.35 0.00 0.00 41.96 41.01 3df8 s TYR 4 CO 0.30 -0.83 0.00 0.41 -1.34 0.00 0.00 175.55 174.09 3df8 n GLY 5 N 3.89 2.62 0.04 8.97 0.00 -1.26 -1.93 105.19 117.52 3df8 n GLY 5 Ca 0.14 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.96 3df8 n GLY 5 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3df8 n ASP 6 N 4.52 0.12 -4.56 1.61 2.03 -1.26 -4.86 116.55 114.15 3df8 n ASP 6 Ca 0.00 -1.24 -0.24 0.00 0.52 0.00 0.00 54.79 53.83 3df8 n ASP 6 Cb 0.00 -0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.30 3df8 n ASP 6 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3df8 s THR 7 N -1.99 2.61 -0.05 5.18 -4.23 -0.81 -5.14 115.64 111.21 3df8 s THR 7 Ca 0.38 -2.17 0.07 0.00 -1.18 0.00 0.00 61.69 58.79 3df8 s THR 7 Cb 0.18 -2.60 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 3df8 s THR 7 CO 0.29 -0.30 -0.25 -1.61 -0.54 0.00 0.00 174.62 172.21 3df8 s GLU 8 N -3.61 2.42 -0.15 3.99 2.02 -1.26 -0.58 118.70 121.52 3df8 s GLU 8 Ca 0.32 -0.91 -0.14 0.00 0.02 0.00 0.00 54.97 54.26 3df8 s GLU 8 Cb -0.02 -2.13 -0.05 0.00 0.10 0.00 0.00 34.13 32.04 3df8 s GLU 8 CO 0.17 0.44 0.31 0.42 0.02 0.00 0.00 175.26 176.62 3df8 s ILE 9 N -0.30 5.29 -0.26 -1.63 1.01 0.85 -4.85 121.20 121.31 3df8 s ILE 9 Ca 0.01 0.58 -0.11 0.00 0.00 0.00 0.00 60.65 61.13 3df8 s ILE 9 Cb -0.13 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 3df8 s ILE 9 CO 0.02 0.40 0.19 0.00 0.00 0.00 0.00 174.94 175.55 3df8 s ILE 11 N 1.48 1.26 -0.45 0.00 -1.09 -0.43 -4.99 121.20 116.98 3df8 s ILE 11 Ca 0.08 -0.52 -0.21 0.00 -2.23 0.00 0.00 60.65 57.77 3df8 s ILE 11 Cb -0.15 -1.17 0.03 0.00 -1.58 0.00 0.00 42.46 39.59 3df8 s ILE 11 CO 0.08 0.39 0.65 -0.62 -1.23 0.00 0.00 174.94 174.21 3df8 s ASP 12 N 0.91 6.31 0.52 3.58 -1.08 -1.26 -0.16 116.67 125.49 3df8 s ASP 12 Ca -0.09 -0.42 0.28 0.00 -0.52 0.00 0.00 52.55 51.80 3df8 s ASP 12 Cb -0.15 -2.32 1.44 0.00 -1.46 0.00 0.00 42.92 40.43 3df8 s ASP 12 CO 0.00 -0.80 2.06 -0.65 0.52 0.00 0.00 175.17 176.30 3df8 h PRO 13 N 8.90 0.00 0.00 4.34 0.11 -1.96 -2.00 132.00 141.40 3df8 h PRO 13 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3df8 h PRO 13 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3df8 h PRO 13 CO 0.91 0.12 -0.42 0.66 -0.21 0.00 0.00 178.00 179.05 3df8 h SER 14 N 0.00 0.00 -1.99 -2.05 4.64 -1.91 -3.41 113.55 108.83 3df8 h SER 14 Ca -0.00 -0.10 -0.37 0.00 -0.47 0.00 0.00 61.79 60.85 3df8 h SER 14 Cb 0.36 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.13 3df8 h SER 14 CO 0.02 0.05 -0.69 -1.83 -0.87 0.00 0.00 176.83 173.50 3df8 s GLU 15 N -3.18 0.62 -0.03 4.77 4.04 -0.76 -5.12 118.70 119.03 3df8 s GLU 15 Ca 0.07 -0.83 -0.25 0.00 0.04 0.00 0.00 54.97 53.99 3df8 s GLU 15 Cb 0.11 -0.74 0.05 0.00 0.02 0.00 0.00 34.13 33.58 3df8 s GLU 15 CO 0.69 -1.19 0.55 0.45 -1.84 0.00 0.00 175.26 173.92 3df8 s SER 16 N 1.47 -0.49 0.00 0.83 0.15 -1.17 -4.40 113.70 110.09 3df8 s SER 16 Ca 0.16 0.47 0.15 0.00 0.70 0.00 0.00 55.95 57.43 3df8 s SER 16 Cb -0.16 0.46 0.72 0.00 -1.71 0.00 0.00 66.02 65.34 3df8 s SER 16 CO -0.05 -0.57 1.44 0.55 1.20 0.00 0.00 173.24 175.81 3df8 n VAL 17 N 0.97 0.72 -0.21 4.45 3.14 -1.26 -2.28 118.33 123.86 3df8 n VAL 17 Ca -0.20 0.18 0.07 0.00 -2.96 0.00 0.00 64.34 61.44 3df8 n VAL 17 Cb 0.57 -0.93 0.35 0.00 -1.06 0.00 0.00 33.84 32.77 3df8 n VAL 17 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 3df8 h LEU 18 N 0.00 0.68 -0.06 6.55 5.85 -1.94 -1.05 115.31 125.33 3df8 h LEU 18 Ca 0.00 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3df8 h LEU 18 Cb 0.18 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3df8 h LEU 18 CO 0.00 0.42 -0.14 -0.74 -0.34 0.00 0.00 178.44 177.64 3df8 h HIS 19 N 0.76 -0.36 -0.15 1.25 2.76 -1.79 -0.93 115.15 116.70 3df8 h HIS 19 Ca 0.34 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.52 3df8 h HIS 19 Cb 0.34 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 3df8 h HIS 19 CO -0.00 -0.21 0.06 1.25 -1.30 0.00 0.00 177.93 177.73 3df8 h LEU 20 N -0.20 0.20 -1.61 0.26 5.85 -1.64 -2.83 115.31 115.34 3df8 h LEU 20 Ca 0.07 -0.15 0.20 0.00 0.84 0.00 0.00 57.88 58.83 3df8 h LEU 20 Cb 0.30 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 3df8 h LEU 20 CO -0.18 0.30 0.57 -0.07 -0.34 0.00 0.00 178.44 178.72 3df8 h LEU 21 N 0.09 0.33 0.00 2.25 -0.00 -0.83 -1.65 115.31 115.50 3df8 h LEU 21 Ca 0.05 0.03 -0.08 0.00 -0.00 0.00 0.00 57.88 57.88 3df8 h LEU 21 Cb 0.16 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 3df8 h LEU 21 CO -0.00 0.14 -0.42 1.23 -0.00 0.00 0.00 178.44 179.39 3df8 h GLY 22 N 0.34 0.00 -3.18 0.83 0.00 -0.93 -3.42 103.07 96.72 3df8 h GLY 22 Ca 0.43 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 47.20 3df8 h GLY 22 CO -0.14 0.00 0.45 0.28 0.00 0.00 0.00 176.54 177.14 3df8 n LYS 23 N -3.18 1.63 -1.59 4.80 5.02 -0.62 -4.82 118.16 119.40 3df8 n LYS 23 Ca 0.02 0.59 -0.51 0.00 -2.02 0.00 0.00 58.31 56.39 3df8 n LYS 23 Cb 0.69 -2.40 -0.05 0.00 -0.02 0.00 0.00 35.03 33.24 3df8 n LYS 23 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3df8 n LYS 24 N -0.54 1.20 0.00 1.97 4.81 -1.26 -1.71 118.16 122.63 3df8 n LYS 24 Ca 0.09 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 3df8 n LYS 24 Cb 0.43 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 33.43 3df8 n LYS 24 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3df8 n TYR 25 N 2.34 0.00 0.13 5.64 4.02 -1.26 -5.05 117.16 122.98 3df8 n TYR 25 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.07 3df8 n TYR 25 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 3df8 n TYR 25 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3df8 n THR 26 N -2.00 0.04 0.00 -0.72 -1.04 -0.69 -0.15 114.28 109.71 3df8 n THR 26 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3df8 n THR 26 Cb 0.00 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 3df8 n THR 26 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3df8 n LEU 28 N 0.58 0.00 0.07 -4.42 4.77 -1.26 -1.52 117.00 115.22 3df8 n LEU 28 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3df8 n LEU 28 Cb 0.04 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 3df8 n LEU 28 CO 0.00 0.00 0.80 0.40 -1.33 0.00 0.00 177.39 177.26 3df8 h ILE 29 N 0.00 0.97 -0.69 -0.08 2.04 -0.97 -0.13 117.51 118.66 3df8 h ILE 29 Ca 0.00 -0.18 0.10 0.00 1.00 0.00 0.00 64.86 65.78 3df8 h ILE 29 Cb 0.00 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 3df8 h ILE 29 CO 0.00 0.05 0.31 0.40 0.00 0.00 0.00 178.15 178.91 3df8 h ILE 30 N -0.19 0.80 -0.22 -0.67 2.04 -1.53 -1.20 117.51 116.54 3df8 h ILE 30 Ca -0.01 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3df8 h ILE 30 Cb 0.16 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 3df8 h ILE 30 CO 0.02 0.10 0.08 0.28 0.00 0.00 0.00 178.15 178.63 3df8 h SER 31 N 0.52 0.30 0.01 1.72 0.02 -1.76 -3.08 113.55 111.29 3df8 h SER 31 Ca 0.35 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 61.04 3df8 h SER 31 Cb 0.41 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3df8 h SER 31 CO -0.30 0.39 -0.27 0.58 -1.14 0.00 0.00 176.83 176.08 3df8 h VAL 32 N 0.20 1.27 0.00 2.27 2.07 -0.77 -2.48 116.25 118.80 3df8 h VAL 32 Ca 0.07 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.32 3df8 h VAL 32 Cb 0.18 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3df8 h VAL 32 CO -0.01 0.40 0.00 -0.07 0.02 0.00 0.00 177.57 177.91 3df8 h LEU 33 N 0.36 0.00 -2.43 2.57 3.38 -1.13 -0.91 115.31 117.15 3df8 h LEU 33 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3df8 h LEU 33 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3df8 h LEU 33 CO 0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.19 3df8 n GLY 34 N -0.72 2.00 3.92 0.83 0.00 -0.94 -4.55 105.19 105.73 3df8 n GLY 34 Ca -0.02 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 3df8 n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3df8 s ASN 35 N -1.23 3.57 0.46 1.61 0.01 -0.35 -5.01 114.94 114.02 3df8 s ASN 35 Ca 0.43 0.40 0.00 0.00 -0.71 0.00 0.00 52.86 52.99 3df8 s ASN 35 Cb 0.24 -0.59 0.00 0.00 0.41 0.00 0.00 41.25 41.30 3df8 s ASN 35 CO 0.32 -2.45 0.00 0.61 -1.51 0.00 0.00 177.10 174.06 3df8 n GLY 36 N -3.60 0.12 0.00 0.66 0.00 -1.26 -4.66 105.19 96.45 3df8 n GLY 36 Ca 0.13 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3df8 n GLY 36 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3df8 n SER 37 N -3.54 1.43 -3.84 1.61 7.64 -1.26 -5.05 113.62 110.62 3df8 n SER 37 Ca 0.00 -1.56 -0.12 0.00 1.01 0.00 0.00 58.87 58.21 3df8 n SER 37 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 3df8 n SER 37 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3df8 s THR 38 N -0.56 0.08 0.37 0.44 -4.23 -1.26 -5.12 115.64 105.36 3df8 s THR 38 Ca 0.00 -0.68 -0.27 0.00 -1.18 0.00 0.00 61.69 59.56 3df8 s THR 38 Cb 0.00 -0.59 -0.11 0.00 1.34 0.00 0.00 72.50 73.14 3df8 s THR 38 CO 0.00 -0.37 1.32 0.54 -0.54 0.00 0.00 174.62 175.56 3df8 n ARG 39 N 1.23 2.16 -4.08 3.99 1.74 -1.26 -5.00 116.66 115.44 3df8 n ARG 39 Ca -0.22 0.76 -0.33 0.00 -0.77 0.00 0.00 57.85 57.29 3df8 n ARG 39 Cb 0.56 -2.40 -0.07 0.00 -1.02 0.00 0.00 32.46 29.53 3df8 n ARG 39 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3df8 s GLN 40 N -2.02 3.13 0.82 5.56 -0.21 -1.19 -4.85 119.66 120.89 3df8 s GLN 40 Ca 0.57 -0.44 -0.07 0.00 0.02 0.00 0.00 55.36 55.45 3df8 s GLN 40 Cb -0.53 -2.91 0.16 0.00 1.00 0.00 0.00 33.01 30.73 3df8 s GLN 40 CO 0.61 0.66 1.13 0.54 -2.12 0.00 0.00 175.29 176.11 3df8 s ASN 41 N -1.65 3.84 0.19 5.90 2.20 -1.26 -0.75 114.94 123.41 3df8 s ASN 41 Ca 0.22 -0.14 -0.09 0.00 -0.94 0.00 0.00 52.86 51.91 3df8 s ASN 41 Cb -0.12 -0.09 0.08 0.00 -2.00 0.00 0.00 41.25 39.12 3df8 s ASN 41 CO 0.13 -2.22 1.66 0.15 -2.94 0.00 0.00 177.10 173.87 3df8 h PHE 42 N -0.97 1.18 -0.49 1.54 3.57 -1.98 -2.44 116.94 117.36 3df8 h PHE 42 Ca -0.39 -0.19 -0.08 0.00 3.53 0.00 0.00 57.97 60.84 3df8 h PHE 42 Cb 1.25 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 3df8 h PHE 42 CO -0.59 1.02 -0.02 -0.91 -2.23 0.00 0.00 178.31 175.59 3df8 h ASN 43 N 1.00 0.80 -0.34 0.41 2.35 -1.95 -0.89 115.58 116.96 3df8 h ASN 43 Ca 0.18 -0.20 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3df8 h ASN 43 Cb 0.53 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 3df8 h ASN 43 CO 0.03 0.87 0.14 0.44 -1.65 0.00 0.00 177.43 177.26 3df8 h ASP 44 N 0.76 0.18 0.17 5.81 3.32 -1.83 -0.06 116.42 124.77 3df8 h ASP 44 Ca 0.14 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3df8 h ASP 44 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3df8 h ASP 44 CO 0.02 0.14 -0.08 0.40 -1.72 0.00 0.00 179.24 178.00 3df8 h ILE 45 N 0.30 0.93 -0.76 0.35 2.04 -1.23 -2.68 117.51 116.47 3df8 h ILE 45 Ca 0.15 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.56 3df8 h ILE 45 Cb 0.10 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 3df8 h ILE 45 CO -0.13 0.11 0.47 -0.09 0.00 0.00 0.00 178.15 178.51 3df8 h ARG 46 N -0.46 0.88 0.00 2.37 2.43 -1.02 -1.78 114.38 116.80 3df8 h ARG 46 Ca -0.02 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3df8 h ARG 46 Cb 0.36 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3df8 h ARG 46 CO 0.04 0.58 -0.12 0.77 -1.51 0.00 0.00 179.97 179.73 3df8 h SER 47 N 0.91 0.00 0.32 -3.80 0.02 -1.00 -2.41 113.55 107.59 3df8 h SER 47 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3df8 h SER 47 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3df8 h SER 47 CO -0.12 0.12 -0.21 -1.54 -1.14 0.00 0.00 176.83 173.94 3df8 n SER 48 N -3.69 0.75 -3.73 3.07 3.41 -0.68 -4.34 113.62 108.40 3df8 n SER 48 Ca -0.02 -0.69 -0.28 0.00 -0.26 0.00 0.00 58.87 57.62 3df8 n SER 48 Cb 0.24 0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.12 3df8 n SER 48 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3df8 n ILE 49 N -0.84 1.23 -1.58 -1.33 5.41 -0.91 -5.06 119.36 116.29 3df8 n ILE 49 Ca 0.13 -4.67 -0.53 0.00 1.00 0.00 0.00 62.75 58.68 3df8 n ILE 49 Cb 0.32 -2.09 -0.06 0.00 -0.71 0.00 0.00 39.64 37.10 3df8 n ILE 49 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3df8 n PRO 50 N 1.92 0.98 0.00 0.38 -0.02 -1.26 -2.19 135.00 134.81 3df8 n PRO 50 Ca 0.23 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3df8 n PRO 50 Cb 0.38 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3df8 n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3df8 n GLY 51 N 2.35 2.13 3.74 -1.23 0.00 -1.26 -5.06 105.19 105.86 3df8 n GLY 51 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3df8 n GLY 51 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3df8 s ILE 52 N -2.55 2.82 0.51 -0.61 2.07 -0.93 -5.02 121.20 117.49 3df8 s ILE 52 Ca 0.00 0.70 -0.12 0.00 -1.41 0.00 0.00 60.65 59.82 3df8 s ILE 52 Cb 0.00 -3.45 -0.06 0.00 0.13 0.00 0.00 42.46 39.08 3df8 s ILE 52 CO 0.00 0.11 0.91 -0.94 -1.91 0.00 0.00 174.94 173.11 3df8 s SER 53 N 0.27 6.44 0.23 4.50 1.04 -1.26 -4.94 113.70 119.99 3df8 s SER 53 Ca 0.58 1.32 -0.07 0.00 0.48 0.00 0.00 55.95 58.26 3df8 s SER 53 Cb -0.40 -2.41 0.28 0.00 0.10 0.00 0.00 66.02 63.59 3df8 s SER 53 CO 0.43 -0.61 1.86 0.28 0.98 0.00 0.00 173.24 176.17 3df8 h SER 54 N 0.59 0.82 0.01 7.02 0.02 -1.99 -0.75 113.55 119.27 3df8 h SER 54 Ca -0.46 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.50 3df8 h SER 54 Cb 1.19 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 3df8 h SER 54 CO 0.62 0.55 -0.04 0.74 -1.14 0.00 0.00 176.83 177.56 3df8 h THR 55 N 0.96 0.90 -0.55 -2.27 2.02 -1.99 -0.01 112.91 111.97 3df8 h THR 55 Ca 0.34 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.46 3df8 h THR 55 Cb 0.10 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3df8 h THR 55 CO -0.15 0.00 0.10 0.40 0.37 0.00 0.00 175.52 176.24 3df8 h ILE 56 N -0.08 1.25 -0.61 3.11 1.08 -1.92 -1.50 117.51 118.85 3df8 h ILE 56 Ca 0.02 -0.94 -0.00 0.00 -0.39 0.00 0.00 64.86 63.54 3df8 h ILE 56 Cb 0.09 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 3df8 h ILE 56 CO -0.04 0.34 0.37 0.25 -0.69 0.00 0.00 178.15 178.38 3df8 h LEU 57 N 0.79 0.74 -0.53 1.44 5.85 -0.92 -0.06 115.31 122.61 3df8 h LEU 57 Ca 0.17 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 3df8 h LEU 57 Cb 0.39 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3df8 h LEU 57 CO 0.01 0.59 0.10 -1.28 -0.34 0.00 0.00 178.44 177.52 3df8 h SER 58 N 0.83 0.83 -0.54 1.25 0.87 -0.83 -0.88 113.55 115.08 3df8 h SER 58 Ca 0.22 -0.25 -0.09 0.00 -1.23 0.00 0.00 61.79 60.43 3df8 h SER 58 Cb -0.02 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 3df8 h SER 58 CO -0.04 0.87 -0.03 0.03 -0.53 0.00 0.00 176.83 177.12 3df8 h ARG 59 N 0.76 0.97 -0.35 2.24 3.08 -0.95 -1.08 114.38 119.04 3df8 h ARG 59 Ca 0.16 -0.33 -0.14 0.00 0.07 0.00 0.00 59.98 59.75 3df8 h ARG 59 Cb 0.38 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3df8 h ARG 59 CO 0.01 0.99 -0.33 0.00 -1.07 0.00 0.00 179.97 179.57 3df8 h ARG 60 N 0.84 0.79 -0.57 0.04 2.47 -0.88 -2.21 114.38 114.87 3df8 h ARG 60 Ca 0.15 -0.38 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 3df8 h ARG 60 Cb 0.58 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.87 3df8 h ARG 60 CO 0.03 1.01 0.33 0.82 0.56 0.00 0.00 179.97 182.72 3df8 h ILE 61 N 0.66 1.18 -0.76 2.04 2.04 -1.00 0.24 117.51 121.91 3df8 h ILE 61 Ca 0.07 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3df8 h ILE 61 Cb 0.88 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 3df8 h ILE 61 CO 0.08 0.19 0.43 0.50 0.00 0.00 0.00 178.15 179.34 3df8 h LYS 62 N 0.76 1.06 -0.25 2.37 3.64 -1.01 0.10 116.57 123.23 3df8 h LYS 62 Ca 0.20 -0.12 -0.15 0.00 -1.27 0.00 0.00 60.65 59.32 3df8 h LYS 62 Cb 0.01 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3df8 h LYS 62 CO -0.04 0.78 -0.44 -0.44 -2.27 0.00 0.00 179.45 177.04 3df8 h ASP 63 N 1.05 0.69 -0.44 4.20 3.32 -0.78 0.23 116.42 124.69 3df8 h ASP 63 Ca 0.27 -0.32 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 3df8 h ASP 63 Cb 0.02 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3df8 h ASP 63 CO -0.05 1.03 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.32 3df8 h LEU 64 N 0.52 0.90 -0.13 1.55 3.38 0.06 -1.09 115.31 120.49 3df8 h LEU 64 Ca 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3df8 h LEU 64 Cb 0.97 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3df8 h LEU 64 CO 0.09 1.02 0.04 0.40 0.09 0.00 0.00 178.44 180.08 3df8 h ILE 65 N 0.81 1.18 -0.50 1.22 2.04 -0.51 -0.90 117.51 120.83 3df8 h ILE 65 Ca 0.13 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.49 3df8 h ILE 65 Cb 0.64 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3df8 h ILE 65 CO 0.04 0.16 0.34 0.44 0.00 0.00 0.00 178.15 179.13 3df8 h ASP 66 N 0.04 0.46 -0.04 1.72 3.32 -0.80 -1.50 116.42 119.62 3df8 h ASP 66 Ca 0.04 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3df8 h ASP 66 Cb 0.22 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3df8 h ASP 66 CO -0.00 0.31 0.00 -1.54 -1.72 0.00 0.00 179.24 176.29 3df8 n SER 67 N -4.47 1.14 -0.12 6.45 3.41 -0.43 -4.93 113.62 114.67 3df8 n SER 67 Ca 0.06 -1.44 -0.02 0.00 -0.26 0.00 0.00 58.87 57.21 3df8 n SER 67 Cb 0.17 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.10 3df8 n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3df8 n GLY 68 N 1.11 0.52 0.07 5.00 0.00 -0.56 -4.94 105.19 106.38 3df8 n GLY 68 Ca 0.19 -0.70 0.06 0.00 0.00 0.00 0.00 46.02 45.56 3df8 n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3df8 n LEU 69 N -0.18 0.38 -4.10 0.99 4.77 -0.38 -4.40 117.00 114.08 3df8 n LEU 69 Ca -0.02 0.16 -0.15 0.00 -0.03 0.00 0.00 56.01 55.97 3df8 n LEU 69 Cb 0.07 0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.11 3df8 n LEU 69 CO 0.02 0.06 -0.43 -0.69 -1.33 0.00 0.00 177.39 175.03 3df8 s VAL 70 N -3.21 0.77 0.06 4.08 1.01 -1.05 -1.50 120.40 120.56 3df8 s VAL 70 Ca -0.05 -1.12 0.05 0.00 0.00 0.00 0.00 61.98 60.85 3df8 s VAL 70 Cb 0.11 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 3df8 s VAL 70 CO 0.85 -0.28 -0.13 -1.83 0.00 0.00 0.00 175.10 173.71 3df8 s GLU 71 N -1.55 0.78 -0.17 2.72 4.04 -0.28 -4.03 118.70 120.21 3df8 s GLU 71 Ca -0.06 -0.88 -0.08 0.00 0.04 0.00 0.00 54.97 53.99 3df8 s GLU 71 Cb -0.10 -0.75 -0.04 0.00 0.02 0.00 0.00 34.13 33.26 3df8 s GLU 71 CO 0.01 0.17 0.10 0.50 -1.84 0.00 0.00 175.26 174.20 3df8 s ARG 72 N -1.58 3.91 -0.23 -4.83 3.52 -1.26 -1.91 118.95 116.57 3df8 s ARG 72 Ca -0.03 -0.27 -0.07 0.00 -0.13 0.00 0.00 55.73 55.24 3df8 s ARG 72 Cb -0.09 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 3df8 s ARG 72 CO 0.02 0.40 0.06 0.50 -0.81 0.00 0.00 175.30 175.47 3df8 s ARG 73 N 0.05 3.74 -0.46 5.12 3.52 0.77 -4.98 118.95 126.71 3df8 s ARG 73 Ca 0.08 -0.45 -0.15 0.00 -0.13 0.00 0.00 55.73 55.08 3df8 s ARG 73 Cb -0.12 -3.28 0.07 0.00 -1.56 0.00 0.00 34.95 30.06 3df8 s ARG 73 CO 0.00 -0.05 0.36 -1.12 -0.81 0.00 0.00 175.30 173.68 3df8 s SER 74 N 1.25 6.07 0.00 -2.12 0.01 -1.26 -1.60 113.70 116.06 3df8 s SER 74 Ca 0.05 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.02 3df8 s SER 74 Cb -0.15 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.93 3df8 s SER 74 CO 0.03 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 173.69 3df8 n GLY 75 N 5.16 5.19 0.23 3.44 0.00 -1.26 -4.98 105.19 112.97 3df8 n GLY 75 Ca -0.12 -1.62 0.09 0.00 0.00 0.00 0.00 46.02 44.37 3df8 n GLY 75 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3df8 h GLN 76 N 0.00 0.00 -5.82 1.61 4.20 -2.06 -3.41 115.11 109.62 3df8 h GLN 76 Ca 0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 3df8 h GLN 76 Cb 0.00 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.64 3df8 h GLN 76 CO 0.00 0.21 -0.72 0.96 -0.67 0.00 0.00 178.83 178.61 3df8 s ILE 77 N -4.17 2.04 -0.21 2.54 -4.36 -1.26 -5.14 121.20 110.63 3df8 s ILE 77 Ca -0.02 -2.26 -0.07 0.00 -0.26 0.00 0.00 60.65 58.04 3df8 s ILE 77 Cb 0.13 -2.31 -0.04 0.00 1.25 0.00 0.00 42.46 41.50 3df8 s ILE 77 CO 0.64 -0.41 0.06 -0.89 0.24 0.00 0.00 174.94 174.59 3df8 s THR 78 N -2.77 4.54 0.21 8.37 2.01 -1.26 -4.57 115.64 122.17 3df8 s THR 78 Ca 0.28 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.18 3df8 s THR 78 Cb -0.01 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 3df8 s THR 78 CO 0.12 0.41 0.05 0.42 -0.69 0.00 0.00 174.62 174.93 3df8 s THR 79 N 0.90 0.54 0.05 -0.82 -4.23 -0.63 -4.32 115.64 107.13 3df8 s THR 79 Ca 0.03 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.59 3df8 s THR 79 Cb -0.14 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 3df8 s THR 79 CO 0.03 -0.24 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.45 3df8 s TYR 80 N -3.76 0.90 0.08 3.99 2.02 0.07 -0.16 117.35 120.48 3df8 s TYR 80 Ca 0.31 -0.47 -0.18 0.00 -0.37 0.00 0.00 57.07 56.36 3df8 s TYR 80 Cb 0.07 -0.52 0.04 0.00 -0.40 0.00 0.00 41.96 41.15 3df8 s TYR 80 CO 0.08 -0.02 0.43 0.00 -1.57 0.00 0.00 175.55 174.47 3df8 s ALA 81 N -1.29 -1.05 0.35 3.71 0.00 -0.80 -3.19 121.76 119.49 3df8 s ALA 81 Ca -0.06 0.23 -0.27 0.00 0.00 0.00 0.00 51.96 51.86 3df8 s ALA 81 Cb -0.10 0.49 -0.09 0.00 0.00 0.00 0.00 23.12 23.42 3df8 s ALA 81 CO 0.01 -0.54 1.13 -0.51 0.00 0.00 0.00 175.76 175.85 3df8 s LEU 82 N -2.31 4.34 0.98 0.00 1.43 -1.26 -1.13 118.68 120.74 3df8 s LEU 82 Ca -0.02 2.28 -0.15 0.00 -1.03 0.00 0.00 54.13 55.20 3df8 s LEU 82 Cb 0.00 -3.87 0.19 0.00 0.03 0.00 0.00 46.19 42.54 3df8 s LEU 82 CO -0.06 -0.41 1.21 0.42 0.23 0.00 0.00 176.35 177.74 3df8 s THR 83 N -1.34 1.92 0.22 5.49 -4.23 -0.56 -4.83 115.64 112.30 3df8 s THR 83 Ca 0.51 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.95 3df8 s THR 83 Cb -0.30 -2.82 0.18 0.00 1.34 0.00 0.00 72.50 70.90 3df8 s THR 83 CO 0.38 0.00 1.73 -0.08 -0.54 0.00 0.00 174.62 176.12 3df8 h GLU 84 N -1.73 0.39 -0.64 3.99 4.81 -1.89 -1.83 114.58 117.68 3df8 h GLU 84 Ca -0.46 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 3df8 h GLU 84 Cb 1.29 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 3df8 h GLU 84 CO 0.47 0.26 0.33 0.87 -0.73 0.00 0.00 179.01 180.21 3df8 h LYS 85 N 0.41 0.91 -1.41 1.92 1.57 -1.89 -1.61 116.57 116.45 3df8 h LYS 85 Ca 0.36 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3df8 h LYS 85 Cb 0.50 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3df8 h LYS 85 CO -0.36 0.71 0.00 0.41 -0.57 0.00 0.00 179.45 179.63 3df8 n GLY 86 N -1.00 0.28 1.47 3.86 0.00 -0.69 -1.29 105.19 107.82 3df8 n GLY 86 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3df8 n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3df8 n ASN 88 N 0.80 0.00 -0.22 1.61 3.02 -0.61 -0.97 115.26 118.88 3df8 n ASN 88 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 3df8 n ASN 88 Cb 0.07 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.34 3df8 n ASN 88 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3df8 h VAL 89 N 0.00 0.89 -0.64 2.41 2.07 -1.47 -2.51 116.25 116.99 3df8 h VAL 89 Ca 0.00 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 3df8 h VAL 89 Cb 0.00 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 3df8 h VAL 89 CO 0.00 0.11 0.16 -0.09 0.02 0.00 0.00 177.57 177.77 3df8 h ARG 90 N 0.59 1.02 -0.72 1.57 2.43 -1.33 -0.30 114.38 117.64 3df8 h ARG 90 Ca 0.31 -0.24 0.07 0.00 -0.81 0.00 0.00 59.98 59.31 3df8 h ARG 90 Cb 0.27 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.63 3df8 h ARG 90 CO -0.23 0.92 0.40 -0.91 -1.51 0.00 0.00 179.97 178.65 3df8 h ASN 91 N 0.95 0.59 1.24 -3.80 2.35 -1.76 -1.26 115.58 113.88 3df8 h ASN 91 Ca 0.20 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.92 3df8 h ASN 91 Cb 0.35 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3df8 h ASN 91 CO 0.00 0.36 -0.31 0.77 -1.65 0.00 0.00 177.43 176.60 3df8 h SER 92 N 0.72 0.00 0.00 5.81 4.64 -0.97 -3.40 113.55 120.35 3df8 h SER 92 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3df8 h SER 92 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3df8 h SER 92 CO -0.21 0.31 0.00 -0.11 -0.87 0.00 0.00 176.83 175.95 3df8 n LEU 93 N -3.31 3.83 0.00 5.97 7.94 -0.18 -4.34 117.00 126.92 3df8 n LEU 93 Ca 0.01 -1.75 0.00 0.00 -1.11 0.00 0.00 56.01 53.17 3df8 n LEU 93 Cb 0.56 -0.79 0.00 0.00 0.53 0.00 0.00 43.42 43.72 3df8 n LEU 93 CO 0.36 0.71 0.00 -2.65 -1.11 0.00 0.00 177.39 174.70 3df8 n PRO 95 N 1.43 0.00 -0.02 1.96 -0.02 -1.26 -1.48 135.00 135.61 3df8 n PRO 95 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 3df8 n PRO 95 Cb 0.39 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.79 3df8 n PRO 95 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3df8 h LEU 96 N 0.00 0.10 -0.88 2.45 5.85 -1.95 -1.64 115.31 119.24 3df8 h LEU 96 Ca 0.00 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 3df8 h LEU 96 Cb 0.00 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3df8 h LEU 96 CO 0.00 0.42 0.36 -0.07 -0.34 0.00 0.00 178.44 178.81 3df8 h LEU 97 N -0.22 1.07 -0.35 2.25 3.38 -1.62 -0.19 115.31 119.63 3df8 h LEU 97 Ca 0.01 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 57.91 3df8 h LEU 97 Cb 0.37 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3df8 h LEU 97 CO 0.00 0.92 -0.03 -0.61 0.09 0.00 0.00 178.44 178.82 3df8 h GLN 98 N 1.15 0.07 -0.36 1.13 4.15 -1.81 -0.59 115.11 118.86 3df8 h GLN 98 Ca 0.27 -0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.53 3df8 h GLN 98 Cb 0.16 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 3df8 h GLN 98 CO -0.03 0.04 -0.39 -0.92 -1.93 0.00 0.00 178.83 175.61 3df8 h TYR 99 N 0.07 1.03 -0.82 3.99 3.20 -0.70 -1.92 116.97 121.81 3df8 h TYR 99 Ca 0.17 -0.31 0.14 0.00 3.14 0.00 0.00 58.73 61.88 3df8 h TYR 99 Cb 0.24 -0.22 -0.09 0.00 1.54 0.00 0.00 36.73 38.20 3df8 h TYR 99 CO -0.27 1.11 0.40 0.82 -1.64 0.00 0.00 178.16 178.59 3df8 h ILE 100 N 0.71 0.72 -0.93 1.81 2.04 -0.74 -0.14 117.51 120.98 3df8 h ILE 100 Ca 0.06 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 3df8 h ILE 100 Cb 0.97 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 3df8 h ILE 100 CO 0.09 0.11 0.58 -1.28 0.00 0.00 0.00 178.15 177.65 3df8 h SER 101 N 0.58 1.10 -0.02 1.72 0.87 -0.34 0.20 113.55 117.67 3df8 h SER 101 Ca 0.45 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.95 3df8 h SER 101 Cb 0.63 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 3df8 h SER 101 CO -0.37 0.83 0.01 0.58 -0.53 0.00 0.00 176.83 177.35 3df8 h VAL 102 N 1.28 1.12 -0.98 2.23 2.07 -0.70 -2.84 116.25 118.44 3df8 h VAL 102 Ca 0.34 -0.36 0.11 0.00 0.82 0.00 0.00 66.70 67.61 3df8 h VAL 102 Cb -0.08 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 3df8 h VAL 102 CO -0.07 0.10 0.61 -0.07 0.02 0.00 0.00 177.57 178.16 3df8 h LEU 103 N -0.13 0.91 -2.22 2.57 3.38 -0.64 -2.17 115.31 117.02 3df8 h LEU 103 Ca 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3df8 h LEU 103 Cb 0.15 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3df8 h LEU 103 CO -0.00 0.49 -0.06 0.44 0.09 0.00 0.00 178.44 179.41 3df8 h ASP 104 N 0.99 0.00 1.38 -0.43 3.32 -0.73 0.62 116.42 121.57 3df8 h ASP 104 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 3df8 h ASP 104 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3df8 h ASP 104 CO -0.26 0.06 -0.23 0.03 -1.72 0.00 0.00 179.24 177.12 3df8 h ARG 105 N 0.00 0.00 0.00 3.56 2.47 -1.21 -3.51 114.38 115.68 3df8 h ARG 105 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3df8 h ARG 105 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 3df8 h ARG 105 CO 0.01 0.00 0.00 0.09 0.56 0.00 0.00 179.97 180.63