#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g5l h ILE 17 N 0.00 1.22 -2.48 -0.61 2.04 -1.97 -3.46 117.51 112.24 2g5l h ILE 17 Ca 0.00 -2.62 -0.55 0.00 1.00 0.00 0.00 64.86 62.69 2g5l h ILE 17 Cb 0.00 2.99 0.06 0.00 -0.74 0.00 0.00 36.82 39.12 2g5l h ILE 17 CO 0.00 0.81 0.95 0.41 0.00 0.00 0.00 178.15 180.31 2g5l n THR 18 N -3.75 0.05 -0.83 -0.27 -1.04 -1.26 -4.79 114.28 102.39 2g5l n THR 18 Ca -0.19 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 2g5l n THR 18 Cb 1.06 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.73 2g5l n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2g5l n GLY 19 N 3.81 0.54 3.79 3.41 0.00 -0.11 -4.99 105.19 111.64 2g5l n GLY 19 Ca 0.17 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 2g5l n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g5l s THR 20 N -2.39 5.34 0.07 2.61 2.01 -1.26 -1.30 115.64 120.72 2g5l s THR 20 Ca 0.00 0.42 0.07 0.00 0.31 0.00 0.00 61.69 62.49 2g5l s THR 20 Cb 0.00 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 2g5l s THR 20 CO 0.00 0.50 -0.20 0.26 -0.69 0.00 0.00 174.62 174.49 2g5l s TRP 21 N -0.25 1.69 -0.09 4.92 0.52 0.89 -4.67 118.94 121.95 2g5l s TRP 21 Ca 0.15 -0.40 0.03 0.00 0.02 0.00 0.00 56.10 55.91 2g5l s TRP 21 Cb -0.13 -0.96 0.00 0.00 -1.15 0.00 0.00 33.47 31.24 2g5l s TRP 21 CO 0.04 0.14 -0.20 0.71 0.02 0.00 0.00 176.95 177.66 2g5l s TYR 22 N -1.02 2.18 0.62 -1.98 2.02 0.24 -0.45 117.35 118.97 2g5l s TYR 22 Ca 0.05 -0.88 -0.09 0.00 -0.37 0.00 0.00 57.07 55.79 2g5l s TYR 22 Cb -0.09 -1.49 0.14 0.00 -0.40 0.00 0.00 41.96 40.11 2g5l s TYR 22 CO 0.03 -0.37 0.85 0.27 -1.57 0.00 0.00 175.55 174.75 2g5l n ASN 23 N 3.63 0.26 -0.73 2.29 2.04 -0.59 0.88 115.26 123.04 2g5l n ASN 23 Ca -0.20 -1.42 0.06 0.00 -0.44 0.00 0.00 54.58 52.57 2g5l n ASN 23 Cb 0.53 -0.63 0.17 0.00 -2.53 0.00 0.00 39.78 37.32 2g5l n ASN 23 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2g5l n GLN 24 N -2.75 1.94 -0.14 -3.83 1.13 -1.21 -3.97 117.38 108.55 2g5l n GLN 24 Ca 0.11 -1.38 0.03 0.00 -1.94 0.00 0.00 57.00 53.82 2g5l n GLN 24 Cb 0.39 -1.33 0.04 0.00 0.11 0.00 0.00 30.24 29.45 2g5l n GLN 24 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2g5l n LEU 25 N 0.59 1.13 0.00 1.08 4.77 -1.26 -5.01 117.00 118.30 2g5l n LEU 25 Ca 0.13 -1.58 0.00 0.00 -0.03 0.00 0.00 56.01 54.53 2g5l n LEU 25 Cb 0.34 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2g5l n LEU 25 CO 0.09 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2g5l n GLY 26 N -0.51 3.33 3.51 -0.72 0.00 -1.25 -5.09 105.19 104.45 2g5l n GLY 26 Ca 0.04 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 2g5l n GLY 26 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2g5l n SER 27 N 0.27 -0.58 -3.97 1.61 7.64 -1.26 -4.69 113.62 112.63 2g5l n SER 27 Ca 0.00 0.74 -0.22 0.00 1.01 0.00 0.00 58.87 60.40 2g5l n SER 27 Cb 0.00 -1.24 -0.16 0.00 -1.01 0.00 0.00 64.21 61.80 2g5l n SER 27 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2g5l s THR 28 N -1.69 0.84 -0.23 0.44 2.01 -1.26 -1.54 115.64 114.21 2g5l s THR 28 Ca 0.71 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.39 2g5l s THR 28 Cb -0.43 -0.78 0.06 0.00 0.01 0.00 0.00 72.50 71.36 2g5l s THR 28 CO 0.52 0.28 -0.06 0.12 -0.69 0.00 0.00 174.62 174.79 2g5l s PHE 29 N 0.60 2.38 -0.25 4.92 5.36 0.41 -4.43 117.98 126.97 2g5l s PHE 29 Ca -0.10 -1.72 -0.08 0.00 -0.96 0.00 0.00 56.93 54.07 2g5l s PHE 29 Cb -0.13 -1.58 -0.04 0.00 -0.34 0.00 0.00 43.02 40.93 2g5l s PHE 29 CO 0.02 -0.77 0.10 -1.50 -1.46 0.00 0.00 175.22 171.61 2g5l s ILE 30 N 1.40 4.63 0.02 3.12 2.07 -0.02 -0.07 121.20 132.35 2g5l s ILE 30 Ca -0.05 -0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.16 2g5l s ILE 30 Cb -0.18 -3.17 -0.02 0.00 0.13 0.00 0.00 42.46 39.22 2g5l s ILE 30 CO -0.06 0.32 -0.10 0.68 -1.91 0.00 0.00 174.94 173.87 2g5l s VAL 31 N 1.56 0.80 -0.14 4.00 -7.23 -0.42 -1.11 120.40 117.86 2g5l s VAL 31 Ca 0.06 -0.78 0.01 0.00 -1.81 0.00 0.00 61.98 59.46 2g5l s VAL 31 Cb -0.15 -0.74 -0.00 0.00 0.56 0.00 0.00 36.38 36.05 2g5l s VAL 31 CO 0.05 -0.03 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.76 2g5l s THR 32 N -0.73 2.56 -0.38 5.32 2.01 0.65 -0.94 115.64 124.13 2g5l s THR 32 Ca -0.01 -0.82 -0.17 0.00 0.31 0.00 0.00 61.69 61.01 2g5l s THR 32 Cb -0.07 -2.06 0.00 0.00 0.01 0.00 0.00 72.50 70.39 2g5l s THR 32 CO 0.01 0.53 0.42 0.00 -0.69 0.00 0.00 174.62 174.89 2g5l s ALA 33 N 0.62 3.46 0.61 7.40 0.00 -1.26 -1.84 121.76 130.75 2g5l s ALA 33 Ca -0.09 -1.31 -0.14 0.00 0.00 0.00 0.00 51.96 50.42 2g5l s ALA 33 Cb -0.16 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 2g5l s ALA 33 CO 0.03 -1.33 1.04 0.20 0.00 0.00 0.00 175.76 175.70 2g5l s GLY 34 N 1.78 1.90 0.44 0.00 0.00 0.65 -4.87 107.32 107.22 2g5l s GLY 34 Ca 0.13 0.18 0.15 0.00 0.00 0.00 0.00 44.72 45.18 2g5l s GLY 34 CO 0.13 0.47 1.97 0.00 0.00 0.00 0.00 173.10 175.67 2g5l h ALA 35 N 0.07 2.09 -0.62 3.20 0.00 -1.98 -2.60 119.26 119.41 2g5l h ALA 35 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2g5l h ALA 35 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2g5l h ALA 35 CO 0.59 -0.23 0.00 -0.25 0.00 0.00 0.00 179.25 179.36 2g5l n ASP 36 N -4.46 3.67 0.00 0.00 8.00 -1.26 -4.88 116.55 117.62 2g5l n ASP 36 Ca 0.10 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.61 2g5l n ASP 36 Cb 0.42 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 2g5l n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2g5l n GLY 37 N 1.35 0.99 3.75 0.44 0.00 -0.98 -4.87 105.19 105.87 2g5l n GLY 37 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 2g5l n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g5l s ALA 38 N -2.00 3.34 -0.15 4.61 0.00 -1.26 -0.99 121.76 125.32 2g5l s ALA 38 Ca 0.00 0.70 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 2g5l s ALA 38 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2g5l s ALA 38 CO 0.00 0.02 -0.08 -0.51 0.00 0.00 0.00 175.76 175.19 2g5l s LEU 39 N -0.87 3.00 0.07 0.00 1.43 -0.03 -0.25 118.68 122.03 2g5l s LEU 39 Ca 0.44 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 2g5l s LEU 39 Cb -0.27 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2g5l s LEU 39 CO 0.34 0.16 -0.06 0.42 0.23 0.00 0.00 176.35 177.43 2g5l s THR 40 N 0.40 0.58 -5.00 5.49 -4.23 -0.76 -1.01 115.64 111.11 2g5l s THR 40 Ca -0.07 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 2g5l s THR 40 Cb -0.15 -1.28 0.00 0.00 1.34 0.00 0.00 72.50 72.41 2g5l s THR 40 CO 0.04 -0.72 0.00 0.61 -0.54 0.00 0.00 174.62 174.01 2g5l n GLY 41 N 0.50 -0.28 3.05 3.99 0.00 -0.92 -0.25 105.19 111.27 2g5l n GLY 41 Ca -0.16 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 2g5l n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2g5l s THR 42 N -3.84 0.10 0.00 2.61 -4.23 -0.26 -1.43 115.64 108.59 2g5l s THR 42 Ca 0.00 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 2g5l s THR 42 Cb 0.00 -0.42 0.00 0.00 1.34 0.00 0.00 72.50 73.42 2g5l s THR 42 CO 0.00 -0.47 0.00 0.00 -0.54 0.00 0.00 174.62 173.61 2g5l n TYR 43 N 1.42 0.00 -1.33 3.99 9.36 -1.26 -0.84 117.16 128.50 2g5l n TYR 43 Ca -0.23 0.00 0.00 0.00 3.32 0.00 0.00 57.90 60.99 2g5l n TYR 43 Cb 0.56 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 2g5l n TYR 43 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2g5l n TYR 54 N -2.02 -3.65 -2.22 2.98 4.02 -1.26 -5.00 117.16 110.01 2g5l n TYR 54 Ca 0.00 1.98 -0.41 0.00 -0.01 0.00 0.00 57.90 59.45 2g5l n TYR 54 Cb 0.47 -3.14 -0.03 0.00 -0.02 0.00 0.00 39.34 36.63 2g5l n TYR 54 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2g5l s VAL 55 N -5.01 3.12 -0.11 -0.72 1.01 -1.26 -5.02 120.40 112.41 2g5l s VAL 55 Ca 0.00 0.98 0.03 0.00 0.00 0.00 0.00 61.98 62.99 2g5l s VAL 55 Cb 0.00 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2g5l s VAL 55 CO 0.00 0.18 -0.20 -1.48 0.00 0.00 0.00 175.10 173.60 2g5l s LEU 56 N -0.67 1.95 0.01 3.92 0.05 -0.51 -4.26 118.68 119.16 2g5l s LEU 56 Ca 0.53 -0.51 0.04 0.00 0.05 0.00 0.00 54.13 54.24 2g5l s LEU 56 Cb -0.37 -1.28 -0.01 0.00 -2.05 0.00 0.00 46.19 42.48 2g5l s LEU 56 CO 0.42 0.07 -0.14 0.42 -0.55 0.00 0.00 176.35 176.57 2g5l s THR 57 N 0.75 1.11 0.00 5.48 -4.23 -0.75 -2.17 115.64 115.83 2g5l s THR 57 Ca -0.10 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 2g5l s THR 57 Cb -0.16 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.73 2g5l s THR 57 CO 0.01 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 2g5l n GLY 58 N 2.48 3.28 3.09 3.99 0.00 -0.18 -1.07 105.19 116.77 2g5l n GLY 58 Ca -0.15 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 2g5l n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2g5l s ARG 59 N 0.88 0.51 0.06 1.61 1.81 -0.42 -0.85 118.95 122.55 2g5l s ARG 59 Ca 0.00 -0.66 -0.05 0.00 -1.72 0.00 0.00 55.73 53.30 2g5l s ARG 59 Cb 0.00 0.20 -0.02 0.00 -0.45 0.00 0.00 34.95 34.68 2g5l s ARG 59 CO 0.00 -0.12 0.08 1.52 -0.68 0.00 0.00 175.30 176.10 2g5l s TYR 60 N -2.16 0.31 -0.43 -0.53 1.13 -0.16 -1.31 117.35 114.19 2g5l s TYR 60 Ca -0.09 -0.75 -0.28 0.00 -1.41 0.00 0.00 57.07 54.54 2g5l s TYR 60 Cb -0.04 -0.21 0.00 0.00 -1.10 0.00 0.00 41.96 40.61 2g5l s TYR 60 CO -0.03 -0.43 1.54 0.34 -2.51 0.00 0.00 175.55 174.46 2g5l s ASP 61 N -2.67 6.13 0.00 -0.18 2.15 -0.36 -4.48 116.67 117.26 2g5l s ASP 61 Ca 0.03 0.84 0.23 0.00 0.43 0.00 0.00 52.55 54.08 2g5l s ASP 61 Cb 0.04 -2.54 1.10 0.00 -0.30 0.00 0.00 42.92 41.22 2g5l s ASP 61 CO -0.09 -1.60 1.74 -1.54 -0.17 0.00 0.00 175.17 173.51 2g5l n SER 62 N 9.53 0.87 -3.15 -0.34 3.41 -1.26 -4.01 113.62 118.67 2g5l n SER 62 Ca 0.18 -1.47 -0.22 0.00 -0.26 0.00 0.00 58.87 57.10 2g5l n SER 62 Cb 0.48 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 2g5l n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2g5l n ALA 63 N -0.25 2.02 -1.00 7.33 0.00 -1.26 -5.01 120.51 122.34 2g5l n ALA 63 Ca 0.17 -3.22 -0.30 0.00 0.00 0.00 0.00 53.44 50.08 2g5l n ALA 63 Cb 0.22 -0.88 0.14 0.00 0.00 0.00 0.00 19.45 18.93 2g5l n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2g5l s PRO 64 N -1.25 1.35 0.73 0.00 0.04 -1.26 -4.98 135.00 129.63 2g5l s PRO 64 Ca 0.35 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.43 2g5l s PRO 64 Cb 0.21 -1.79 0.04 0.00 0.04 0.00 0.00 34.50 32.99 2g5l s PRO 64 CO -0.11 -2.28 1.21 0.00 0.04 0.00 0.00 177.00 175.85 2g5l s ALA 65 N -2.79 2.13 -0.38 8.56 0.00 -1.26 -4.94 121.76 123.08 2g5l s ALA 65 Ca 0.64 0.89 0.06 0.00 0.00 0.00 0.00 51.96 53.55 2g5l s ALA 65 Cb -0.20 -3.47 0.60 0.00 0.00 0.00 0.00 23.12 20.05 2g5l s ALA 65 CO 0.58 -1.86 1.72 0.25 0.00 0.00 0.00 175.76 176.45 2g5l n THR 66 N -2.68 2.93 -0.74 0.00 -2.24 -1.26 -4.53 114.28 105.76 2g5l n THR 66 Ca 0.13 -2.30 0.08 0.00 -2.27 0.00 0.00 64.05 59.69 2g5l n THR 66 Cb 0.50 -0.41 0.28 0.00 -2.10 0.00 0.00 70.33 68.60 2g5l n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2g5l n ASP 67 N -1.14 4.18 0.00 3.42 5.68 -1.26 -4.91 116.55 122.52 2g5l n ASP 67 Ca 0.49 -2.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.09 2g5l n ASP 67 Cb 1.40 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 2g5l n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2g5l n GLY 68 N 0.21 0.74 3.77 6.12 0.00 -1.26 -5.06 105.19 109.72 2g5l n GLY 68 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 2g5l n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2g5l s SER 69 N -2.92 6.33 1.21 1.61 0.01 -1.26 -5.05 113.70 113.63 2g5l s SER 69 Ca 0.00 2.22 -0.19 0.00 1.31 0.00 0.00 55.95 59.29 2g5l s SER 69 Cb 0.00 -2.60 0.29 0.00 0.21 0.00 0.00 66.02 63.92 2g5l s SER 69 CO 0.00 -0.80 1.11 -0.83 0.41 0.00 0.00 173.24 173.13 2g5l s GLY 70 N -1.43 1.58 -0.33 3.44 0.00 -1.26 -4.79 107.32 104.53 2g5l s GLY 70 Ca 0.62 -0.95 -0.09 0.00 0.00 0.00 0.00 44.72 44.30 2g5l s GLY 70 CO 0.32 -0.06 0.15 -1.59 0.00 0.00 0.00 173.10 171.92 2g5l s THR 71 N -2.99 4.37 0.43 0.90 2.01 0.05 -4.75 115.64 115.67 2g5l s THR 71 Ca 0.71 -0.71 -0.24 0.00 0.31 0.00 0.00 61.69 61.76 2g5l s THR 71 Cb -0.10 -3.33 -0.08 0.00 0.01 0.00 0.00 72.50 69.00 2g5l s THR 71 CO 0.56 -0.06 1.22 0.00 -0.69 0.00 0.00 174.62 175.65 2g5l s ALA 72 N 1.55 3.10 0.27 7.40 0.00 -1.26 -0.86 121.76 131.95 2g5l s ALA 72 Ca 0.03 1.06 -0.21 0.00 0.00 0.00 0.00 51.96 52.84 2g5l s ALA 72 Cb -0.18 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.54 2g5l s ALA 72 CO 0.05 -0.72 0.73 -0.48 0.00 0.00 0.00 175.76 175.34 2g5l s LEU 73 N -2.71 -0.27 0.05 0.00 0.05 -0.26 -1.22 118.68 114.31 2g5l s LEU 73 Ca 0.60 -0.58 -0.27 0.00 0.05 0.00 0.00 54.13 53.93 2g5l s LEU 73 Cb -0.33 2.70 0.08 0.00 -2.05 0.00 0.00 46.19 46.59 2g5l s LEU 73 CO 0.41 -1.31 0.70 -0.83 -0.55 0.00 0.00 176.35 174.77 2g5l s GLY 74 N -2.91 -0.55 0.18 -3.48 0.00 -0.43 -1.71 107.32 98.42 2g5l s GLY 74 Ca 0.11 0.94 -0.14 0.00 0.00 0.00 0.00 44.72 45.64 2g5l s GLY 74 CO 0.06 0.49 0.41 0.66 0.00 0.00 0.00 173.10 174.73 2g5l s TRP 75 N -2.69 0.11 0.01 1.90 -2.14 -0.42 -1.31 118.94 114.40 2g5l s TRP 75 Ca -0.02 -0.46 0.05 0.00 2.66 0.00 0.00 56.10 58.33 2g5l s TRP 75 Cb -0.01 0.19 -0.02 0.00 -3.10 0.00 0.00 33.47 30.54 2g5l s TRP 75 CO -0.04 -0.82 -0.16 0.99 -2.66 0.00 0.00 176.95 174.25 2g5l s THR 76 N -3.91 1.26 -0.12 0.66 2.01 -0.24 -0.88 115.64 114.42 2g5l s THR 76 Ca 0.12 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.27 2g5l s THR 76 Cb 0.01 -1.09 0.02 0.00 0.01 0.00 0.00 72.50 71.45 2g5l s THR 76 CO -0.02 0.21 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.29 2g5l s VAL 77 N -0.59 1.52 -0.09 3.82 1.01 -0.32 -1.81 120.40 123.94 2g5l s VAL 77 Ca 0.05 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.20 2g5l s VAL 77 Cb -0.07 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 2g5l s VAL 77 CO 0.00 0.45 0.54 0.00 0.00 0.00 0.00 175.10 176.10 2g5l s ALA 78 N 1.20 3.44 -0.18 5.51 0.00 -1.26 -0.77 121.76 129.70 2g5l s ALA 78 Ca -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 2g5l s ALA 78 Cb -0.14 -2.73 -0.09 0.00 0.00 0.00 0.00 23.12 20.16 2g5l s ALA 78 CO -0.05 0.00 3.07 0.91 0.00 0.00 0.00 175.76 179.69 2g5l n TRP 79 N 3.56 0.68 -4.30 0.00 7.02 0.00 -4.71 117.44 119.69 2g5l n TRP 79 Ca -0.06 -1.65 -0.31 0.00 -1.02 0.00 0.00 57.50 54.46 2g5l n TRP 79 Cb 0.51 -1.38 -0.16 0.00 -2.42 0.00 0.00 31.31 27.86 2g5l n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 2g5l s LYS 80 N -0.26 2.65 -0.14 -0.99 2.20 -1.26 -1.11 119.74 120.83 2g5l s LYS 80 Ca 0.56 -0.71 -0.04 0.00 -0.36 0.00 0.00 55.97 55.42 2g5l s LYS 80 Cb 0.31 -2.27 0.07 0.00 -1.51 0.00 0.00 37.83 34.42 2g5l s LYS 80 CO -0.08 -0.14 0.18 1.21 -0.36 0.00 0.00 175.35 176.17 2g5l s ASN 85 N 1.16 1.10 0.00 1.43 3.84 -1.26 -4.74 114.94 116.47 2g5l s ASN 85 Ca -0.00 0.07 0.24 0.00 0.21 0.00 0.00 52.86 53.37 2g5l s ASN 85 Cb -0.14 0.30 0.68 0.00 -0.55 0.00 0.00 41.25 41.54 2g5l s ASN 85 CO -0.07 -0.28 1.53 0.00 -2.79 0.00 0.00 177.10 175.48 2g5l n ALA 86 N 5.32 2.51 -3.71 1.71 0.00 -0.27 -4.98 120.51 121.10 2g5l n ALA 86 Ca -0.05 -0.61 -0.26 0.00 0.00 0.00 0.00 53.44 52.51 2g5l n ALA 86 Cb 0.50 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 18.95 2g5l n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2g5l n HIS 87 N 0.67 -1.90 -3.65 0.00 -0.00 -1.26 -4.85 115.22 104.23 2g5l n HIS 87 Ca 0.17 0.64 -0.07 0.00 -0.00 0.00 0.00 57.72 58.46 2g5l n HIS 87 Cb 0.43 -3.79 -0.02 0.00 -0.00 0.00 0.00 29.99 26.62 2g5l n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2g5l s SER 88 N -3.87 -0.31 -0.14 0.41 1.04 -1.26 -0.87 113.70 108.69 2g5l s SER 88 Ca 0.26 -0.27 -0.15 0.00 0.48 0.00 0.00 55.95 56.28 2g5l s SER 88 Cb -0.08 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.60 2g5l s SER 88 CO 0.85 -0.93 0.42 0.00 0.98 0.00 0.00 173.24 174.55 2g5l s ALA 89 N -3.45 -1.03 -0.08 5.32 0.00 -0.21 -0.82 121.76 121.49 2g5l s ALA 89 Ca 0.08 1.10 0.02 0.00 0.00 0.00 0.00 51.96 53.16 2g5l s ALA 89 Cb -0.02 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 2g5l s ALA 89 CO -0.03 -0.21 -0.12 0.99 0.00 0.00 0.00 175.76 176.39 2g5l s THR 90 N 0.03 3.21 -0.11 0.00 2.01 0.05 -1.22 115.64 119.61 2g5l s THR 90 Ca -0.02 -0.65 -0.00 0.00 0.31 0.00 0.00 61.69 61.34 2g5l s THR 90 Cb -0.03 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 2g5l s THR 90 CO 0.01 0.57 -0.11 0.42 -0.69 0.00 0.00 174.62 174.82 2g5l s THR 91 N -0.43 3.26 -0.14 -0.82 -4.23 0.07 -1.18 115.64 112.17 2g5l s THR 91 Ca 0.05 -0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 59.92 2g5l s THR 91 Cb -0.12 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 2g5l s THR 91 CO 0.02 0.54 0.00 0.26 -0.54 0.00 0.00 174.62 174.90 2g5l s TRP 92 N 0.06 3.13 -0.09 3.99 0.51 -0.06 -1.21 118.94 125.28 2g5l s TRP 92 Ca -0.04 -0.03 0.03 0.00 -2.12 0.00 0.00 56.10 53.93 2g5l s TRP 92 Cb -0.14 -1.94 0.01 0.00 -0.81 0.00 0.00 33.47 30.59 2g5l s TRP 92 CO 0.04 0.18 -0.17 0.45 -0.51 0.00 0.00 176.95 176.94 2g5l s SER 93 N -0.05 2.43 0.00 2.95 0.15 0.60 -1.31 113.70 118.47 2g5l s SER 93 Ca 0.03 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2g5l s SER 93 Cb -0.13 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 2g5l s SER 93 CO 0.02 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2g5l n GLY 94 N 3.89 1.10 2.99 9.45 0.00 -0.69 -0.22 105.19 121.71 2g5l n GLY 94 Ca -0.20 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 2g5l n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2g5l s GLN 95 N 1.35 0.22 0.03 1.61 -2.07 -0.59 -1.11 119.66 119.10 2g5l s GLN 95 Ca 0.00 -0.12 -0.25 0.00 -1.82 0.00 0.00 55.36 53.18 2g5l s GLN 95 Cb 0.00 0.09 -0.05 0.00 -1.09 0.00 0.00 33.01 31.96 2g5l s GLN 95 CO 0.00 -0.04 0.76 -0.47 -1.32 0.00 0.00 175.29 174.22 2g5l s TYR 96 N -0.51 3.71 -0.15 9.60 5.04 -0.04 -1.28 117.35 133.71 2g5l s TYR 96 Ca -0.06 1.44 0.01 0.00 -2.44 0.00 0.00 57.07 56.02 2g5l s TYR 96 Cb -0.04 -2.82 0.02 0.00 0.35 0.00 0.00 41.96 39.47 2g5l s TYR 96 CO 0.00 0.24 -0.16 0.08 -1.34 0.00 0.00 175.55 174.38 2g5l s VAL 97 N 0.08 1.70 0.00 3.14 1.01 0.48 -0.77 120.40 126.04 2g5l s VAL 97 Ca 0.39 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2g5l s VAL 97 Cb -0.20 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.61 2g5l s VAL 97 CO 0.22 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.41 2g5l n GLY 98 N 4.66 -0.78 0.00 4.51 0.00 -1.26 -0.80 105.19 111.51 2g5l n GLY 98 Ca -0.18 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2g5l n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g5l n GLY 99 N 5.00 -1.73 0.26 -0.02 0.00 -1.26 -4.28 105.19 103.17 2g5l n GLY 99 Ca 0.00 -2.07 0.05 0.00 0.00 0.00 0.00 46.02 44.00 2g5l n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g5l h ALA 100 N 0.00 1.77 -1.83 4.61 0.00 -2.07 -2.71 119.26 119.04 2g5l h ALA 100 Ca 0.00 -0.08 -0.63 0.00 0.00 0.00 0.00 54.91 54.20 2g5l h ALA 100 Cb 0.00 -0.07 -0.39 0.00 0.00 0.00 0.00 17.79 17.33 2g5l h ALA 100 CO 0.00 0.18 -0.30 -0.85 0.00 0.00 0.00 179.25 178.29 2g5l n GLU 101 N -4.43 3.57 -1.74 0.00 0.00 -1.26 -5.08 120.64 111.69 2g5l n GLU 101 Ca -0.01 -4.63 -0.38 0.00 0.00 0.00 0.00 57.16 52.14 2g5l n GLU 101 Cb 0.14 -2.28 0.05 0.00 0.00 0.00 0.00 31.44 29.35 2g5l n GLU 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2g5l n ALA 102 N -0.31 1.52 -2.90 -1.84 0.00 -1.02 -4.94 120.51 111.01 2g5l n ALA 102 Ca 0.37 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.81 2g5l n ALA 102 Cb 0.44 -2.35 -0.09 0.00 0.00 0.00 0.00 19.45 17.44 2g5l n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2g5l s ARG 103 N -2.99 0.56 -0.26 0.00 1.81 0.02 -4.21 118.95 113.89 2g5l s ARG 103 Ca 0.74 -0.59 -0.00 0.00 -1.72 0.00 0.00 55.73 54.16 2g5l s ARG 103 Cb -0.41 0.23 0.04 0.00 -0.45 0.00 0.00 34.95 34.36 2g5l s ARG 103 CO 0.47 -0.14 -0.08 0.42 -0.68 0.00 0.00 175.30 175.29 2g5l s ILE 104 N -2.11 2.62 -0.23 1.52 1.01 -0.31 -0.38 121.20 123.31 2g5l s ILE 104 Ca -0.09 -1.27 -0.13 0.00 0.00 0.00 0.00 60.65 59.16 2g5l s ILE 104 Cb -0.04 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 2g5l s ILE 104 CO -0.02 0.10 0.26 0.20 0.00 0.00 0.00 174.94 175.48 2g5l s ASN 105 N 1.24 6.22 0.01 3.58 0.02 -0.41 -0.61 114.94 125.00 2g5l s ASN 105 Ca -0.03 0.25 0.00 0.00 -1.02 0.00 0.00 52.86 52.06 2g5l s ASN 105 Cb -0.18 -2.16 -0.01 0.00 0.02 0.00 0.00 41.25 38.92 2g5l s ASN 105 CO -0.05 -0.01 -0.02 0.42 0.02 0.00 0.00 177.10 177.46 2g5l s THR 106 N 1.26 0.11 0.08 1.60 -4.23 -0.29 -1.54 115.64 112.63 2g5l s THR 106 Ca 0.12 -0.52 -0.07 0.00 -1.18 0.00 0.00 61.69 60.04 2g5l s THR 106 Cb -0.14 -0.19 -0.05 0.00 1.34 0.00 0.00 72.50 73.45 2g5l s THR 106 CO 0.06 -0.26 0.35 -1.10 -0.54 0.00 0.00 174.62 173.14 2g5l s GLN 107 N -0.81 3.65 0.15 3.99 -1.52 0.70 -1.86 119.66 123.97 2g5l s GLN 107 Ca -0.08 -0.00 0.07 0.00 -1.95 0.00 0.00 55.36 53.39 2g5l s GLN 107 Cb -0.06 -2.97 -0.04 0.00 -0.22 0.00 0.00 33.01 29.72 2g5l s GLN 107 CO -0.00 0.56 -0.14 1.67 -0.25 0.00 0.00 175.29 177.12 2g5l s TRP 108 N -1.46 1.53 -0.07 0.91 1.48 0.27 -0.30 118.94 121.30 2g5l s TRP 108 Ca 0.34 -0.58 0.03 0.00 -1.06 0.00 0.00 56.10 54.84 2g5l s TRP 108 Cb -0.13 -0.76 0.00 0.00 -1.16 0.00 0.00 33.47 31.42 2g5l s TRP 108 CO 0.20 0.22 -0.17 -0.51 -4.06 0.00 0.00 176.95 172.63 2g5l s LEU 109 N -2.82 1.86 -0.28 -4.66 1.43 -0.35 -1.78 118.68 112.07 2g5l s LEU 109 Ca 0.15 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 2g5l s LEU 109 Cb -0.03 -1.06 0.07 0.00 0.03 0.00 0.00 46.19 45.20 2g5l s LEU 109 CO 0.04 0.10 -0.07 -0.22 0.23 0.00 0.00 176.35 176.44 2g5l s LEU 110 N 0.41 3.77 -0.18 1.79 2.96 -0.03 -0.75 118.68 126.65 2g5l s LEU 110 Ca -0.14 -1.54 -0.07 0.00 -0.22 0.00 0.00 54.13 52.16 2g5l s LEU 110 Cb -0.16 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 2g5l s LEU 110 CO 0.05 -0.24 0.07 -0.89 -1.32 0.00 0.00 176.35 174.02 2g5l s THR 111 N 1.08 4.84 0.02 3.68 2.01 -0.36 -1.03 115.64 125.87 2g5l s THR 111 Ca -0.05 -0.02 -0.05 0.00 0.31 0.00 0.00 61.69 61.89 2g5l s THR 111 Cb -0.20 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 2g5l s THR 111 CO -0.05 0.47 0.24 -0.44 -0.69 0.00 0.00 174.62 174.15 2g5l s SER 112 N 0.29 6.44 0.09 3.53 0.01 -0.12 -1.05 113.70 122.89 2g5l s SER 112 Ca 0.04 0.47 -0.31 0.00 1.31 0.00 0.00 55.95 57.46 2g5l s SER 112 Cb -0.12 -2.05 -0.08 0.00 0.21 0.00 0.00 66.02 63.98 2g5l s SER 112 CO 0.00 0.23 1.53 -0.83 0.41 0.00 0.00 173.24 174.59 2g5l s GLY 113 N -1.89 1.70 0.20 3.44 0.00 -0.05 -4.85 107.32 105.87 2g5l s GLY 113 Ca 0.29 1.17 -0.00 0.00 0.00 0.00 0.00 44.72 46.18 2g5l s GLY 113 CO 0.18 2.64 0.10 -0.51 0.00 0.00 0.00 173.10 175.51 2g5l s THR 114 N 1.88 0.20 0.97 0.90 -4.23 -1.26 -4.99 115.64 109.11 2g5l s THR 114 Ca 0.69 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 59.10 2g5l s THR 114 Cb -0.39 -2.44 0.17 0.00 1.34 0.00 0.00 72.50 71.19 2g5l s THR 114 CO 0.31 -0.11 1.09 0.42 -0.54 0.00 0.00 174.62 175.79 2g5l s THR 115 N -4.01 2.36 0.31 3.99 -4.23 -1.26 -4.83 115.64 107.98 2g5l s THR 115 Ca 0.35 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 2g5l s THR 115 Cb 0.07 -2.35 0.20 0.00 1.34 0.00 0.00 72.50 71.75 2g5l s THR 115 CO 0.10 -0.15 1.90 -0.33 -0.54 0.00 0.00 174.62 175.60 2g5l h GLU 116 N -1.91 0.82 -0.32 3.99 5.08 -2.01 -1.77 114.58 118.46 2g5l h GLU 116 Ca -0.50 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 57.76 2g5l h GLU 116 Cb 1.29 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 2g5l h GLU 116 CO 0.49 0.66 0.21 0.00 -1.00 0.00 0.00 179.01 179.38 2g5l h ALA 117 N 1.45 1.86 -0.26 3.43 0.00 -2.07 -2.32 119.26 121.35 2g5l h ALA 117 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2g5l h ALA 117 Cb 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2g5l h ALA 117 CO -0.02 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.43 2g5l n ASN 118 N -4.49 3.25 0.13 0.00 3.02 -0.81 -4.54 115.26 111.82 2g5l n ASN 118 Ca 0.02 -1.97 0.05 0.00 -0.03 0.00 0.00 54.58 52.65 2g5l n ASN 118 Cb 0.12 -0.16 0.49 0.00 -0.61 0.00 0.00 39.78 39.63 2g5l n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2g5l h ALA 119 N 4.41 1.75 -0.12 5.41 0.00 -0.76 -1.51 119.26 128.46 2g5l h ALA 119 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2g5l h ALA 119 Cb 0.97 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2g5l h ALA 119 CO 0.00 0.20 0.10 0.11 0.00 0.00 0.00 179.25 179.65 2g5l h TRP 120 N 0.26 0.00 -0.43 0.00 5.08 -1.80 -1.88 115.95 117.18 2g5l h TRP 120 Ca 0.07 0.00 -0.23 0.00 1.08 0.00 0.00 58.89 59.81 2g5l h TRP 120 Cb 0.09 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.11 2g5l h TRP 120 CO 0.00 0.00 -0.02 0.36 -1.28 0.00 0.00 178.44 177.50 2g5l n LYS 121 N -4.22 1.90 0.00 0.12 2.85 -0.57 -4.70 118.16 113.54 2g5l n LYS 121 Ca -0.00 -3.20 0.13 0.00 -1.05 0.00 0.00 58.31 54.19 2g5l n LYS 121 Cb 0.21 -1.87 0.47 0.00 -0.65 0.00 0.00 35.03 33.19 2g5l n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2g5l n SER 122 N -1.12 1.00 -3.91 -5.58 3.41 -0.71 -4.84 113.62 101.87 2g5l n SER 122 Ca 0.37 -0.97 -0.27 0.00 -0.26 0.00 0.00 58.87 57.74 2g5l n SER 122 Cb 1.10 0.06 -0.17 0.00 -0.26 0.00 0.00 64.21 64.94 2g5l n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2g5l s THR 123 N -2.37 1.03 0.23 6.66 2.01 -1.26 -0.94 115.64 120.99 2g5l s THR 123 Ca 0.29 -0.30 -0.05 0.00 0.31 0.00 0.00 61.69 61.94 2g5l s THR 123 Cb 0.20 -1.04 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 2g5l s THR 123 CO 0.47 0.37 0.48 -0.76 -0.69 0.00 0.00 174.62 174.48 2g5l s LEU 124 N 1.64 4.16 0.07 4.42 1.43 -0.20 -4.91 118.68 125.28 2g5l s LEU 124 Ca 0.04 0.66 0.06 0.00 -1.03 0.00 0.00 54.13 53.85 2g5l s LEU 124 Cb -0.13 -3.43 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 2g5l s LEU 124 CO -0.07 -0.09 -0.16 0.54 0.23 0.00 0.00 176.35 176.80 2g5l s VAL 125 N -1.90 1.24 0.00 -1.59 0.11 -1.26 -0.85 120.40 116.15 2g5l s VAL 125 Ca 0.43 -1.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 2g5l s VAL 125 Cb -0.11 -1.16 0.00 0.00 -1.53 0.00 0.00 36.38 33.58 2g5l s VAL 125 CO 0.27 -0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.52 2g5l n GLY 126 N 1.41 1.57 3.19 6.54 0.00 -0.73 -4.99 105.19 112.16 2g5l n GLY 126 Ca -0.20 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 2g5l n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2g5l s HIS 127 N -5.67 1.07 -0.05 1.61 -3.43 -1.26 -0.57 115.29 107.00 2g5l s HIS 127 Ca 0.00 -0.73 -0.03 0.00 -0.80 0.00 0.00 55.06 53.50 2g5l s HIS 127 Cb 0.00 -0.58 0.02 0.00 -1.43 0.00 0.00 32.58 30.59 2g5l s HIS 127 CO 0.00 -0.01 0.11 -0.51 -2.00 0.00 0.00 174.74 172.33 2g5l s ASP 128 N -2.72 -0.11 -0.20 7.38 1.01 -0.78 -4.90 116.67 116.36 2g5l s ASP 128 Ca 0.09 0.23 -0.03 0.00 0.71 0.00 0.00 52.55 53.55 2g5l s ASP 128 Cb -0.00 0.20 -0.01 0.00 1.01 0.00 0.00 42.92 44.12 2g5l s ASP 128 CO -0.01 -0.07 -0.06 -0.89 0.21 0.00 0.00 175.17 174.36 2g5l s THR 129 N 0.37 3.41 -0.14 -1.27 2.01 -1.26 -1.14 115.64 117.62 2g5l s THR 129 Ca -0.03 -0.50 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 2g5l s THR 129 Cb -0.04 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 2g5l s THR 129 CO -0.01 0.45 0.05 -0.36 -0.69 0.00 0.00 174.62 174.05 2g5l s PHE 130 N 1.12 3.27 0.12 4.92 0.40 0.22 -3.32 117.98 124.71 2g5l s PHE 130 Ca 0.01 0.17 0.08 0.00 -0.60 0.00 0.00 56.93 56.59 2g5l s PHE 130 Cb -0.15 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 2g5l s PHE 130 CO -0.01 0.35 -0.19 0.95 0.70 0.00 0.00 175.22 177.02 2g5l s THR 131 N -0.32 1.69 -1.02 0.64 -4.23 0.25 -1.16 115.64 111.50 2g5l s THR 131 Ca 0.08 -1.66 0.13 0.00 -1.18 0.00 0.00 61.69 59.06 2g5l s THR 131 Cb -0.12 -1.62 0.11 0.00 1.34 0.00 0.00 72.50 72.21 2g5l s THR 131 CO 0.02 -0.17 1.42 0.29 -0.54 0.00 0.00 174.62 175.63 2g5l n LYS 132 N 0.82 0.01 -4.38 3.99 5.02 -1.26 0.83 118.16 123.18 2g5l n LYS 132 Ca -0.17 0.27 -0.22 0.00 -2.02 0.00 0.00 58.31 56.16 2g5l n LYS 132 Cb 0.55 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.95 2g5l n LYS 132 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2g5l s VAL 133 N -2.98 2.03 -2.00 -0.18 -7.23 -1.26 -4.86 120.40 103.91 2g5l s VAL 133 Ca 0.07 -2.10 0.10 0.00 -1.81 0.00 0.00 61.98 58.24 2g5l s VAL 133 Cb 0.09 -2.03 0.29 0.00 0.56 0.00 0.00 36.38 35.29 2g5l s VAL 133 CO 0.24 -0.35 1.05 0.29 -0.31 0.00 0.00 175.10 176.01